Geometry & MOs

Info

ID:

311598

PubChem CID:

126595447

Reduced:

NO6H13C17 (1)

Stoich.:

AB6C13D17 (1)

Weight, g/mol:

615.117343

ΔHf, kcal/mol:

-193.12

Dipole, Da:

3.34

IP(EA), eV:

 -9.12(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,3S,5S)-3-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC(=O)N)O)O)O

DOS

IR

Vibrations