Geometry & MOs

Info

ID:

16991

PubChem CID:

481776

Reduced:

O7N9C21H29 (1)

Stoich.:

A7B9C21D29 (1)

Weight, g/mol:

519.218994

ΔHf, kcal/mol:

-198.68

Dipole, Da:

8.98

IP(EA), eV:

 -8.58(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;(8R)-3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO.C1[C@@H]([C@H](OC1N2C=NC3=C2NC=NC[C@H]3O)CO)O

DOS

IR

Vibrations