Geometry & MOs

Info

ID:	309924
PubChem CID:	126567562
Reduced:	ClF2N5O6H22C23 (1)
Stoich.:	AB2C5D6E22F23 (1)
Weight, g/mol:	674.099955
ΔH_f, kcal/mol:	-270.7
Dipole, Da:	6.76
IP(EA), eV:	-9.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-amino-9-[(8E,14E,18R)-8-[(7R)-7-amino-1,2,3a,4,5,6,7,7a-octahydropyrazolo[4,3-d]pyrimidin-3-ylidene]-3,3,12,12,18-pentahydroxy-9-oxo-2,4,7,11,13,16-hexaoxa-3,12-diphosphoniatricyclo[13.2.1.06,10]octadeca-1(17),6(10),14-trien-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)NC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H](C([C@H](O3)COC(=O)C4=CC=CC=C4)(F)F)OC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)NC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H](C([C@H](O3)COC(=O)C4=CC=CC=C4)(F)F)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):