Geometry & MOs

Info

ID:

47426

PubChem CID:

10532586

Reduced:

N4O5C42H42 (1)

Stoich.:

A4B5C42D42 (1)

Weight, g/mol:

683.372978

ΔHf, kcal/mol:

-69.38

Dipole, Da:

2.75

IP(EA), eV:

 -8.25(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-7-fluoroimidazo[4,5-c]pyridin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@]12C=C[C@H](N3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC)C6=CN7CCC8=C9[C@@H]7[C@@]([C@@H]6O)(C=C(N9C1=CC=CC=C81)C(=O)OC)CC

DOS

IR

Vibrations