Geometry & MOs

Info

ID:	59281
PubChem CID:	24775876
Reduced:	PN6O8C21H25 (1)
Stoich.:	AB6C8D21E25 (1)
Weight, g/mol:	554.108176
ΔH_f, kcal/mol:	-285.1
Dipole, Da:	6.22
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(1R,3R,4R,7R)-3-(6-aminopurin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate

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

C[C@@H](C(=O)OC)NP(=O)(OC[C@]12CO[C@H]([C@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)OC5=CC=CC=C5

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

C[C@@H](C(=O)OC)NP(=O)(OC[C@]12CO[C@H]([C@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)OC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):