Geometry & MOs

Info

ID:	434494
PubChem CID:	135175041
Reduced:	ClO5N8C43H59 (1)
Stoich.:	AB5C8D43E59 (1)
Weight, g/mol:	659.075121
ΔH_f, kcal/mol:	-156.59
Dipole, Da:	3.99
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-9-[(6R,10S,15S)-8-(6-aminopurin-9-yl)-9-fluoro-3-hydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5-phospha-12-phosphoniatricyclo[13.2.1.06,10]octadecan-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

CC1CCCN1C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCN2CCN(CC2)CC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5NCC6=CC=CC=C6Cl

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

CC1CCCN1C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCN2CCN(CC2)CC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5NCC6=CC=CC=C6Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):