Geometry & MOs

Info

ID:

311568

PubChem CID:

126593840

Reduced:

O5F6N9H29C58 (1)

Stoich.:

A5B6C9D29E58 (1)

Weight, g/mol:

357.112484

ΔHf, kcal/mol:

-36.02

Dipole, Da:

2.63

IP(EA), eV:

 -8.65(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R)-3-fluoro-5-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C=CC(=C)OC1=CC=C(C=C1)N2C3=C(C4=C(C5=C3N=C(N5C6=CC=C(C=C6)OC(=O)C=C)C7=C(C=C(C=C7F)C#N)F)N=C(N4C8=CC=C(C=C8)OC(=O)C=C)C9=C(C=C(C=C9F)C#N)F)N=C2C1=C(C=C(C=C1F)C#N)F

DOS

IR

Vibrations