Geometry & MOs

Info

ID:

427171

PubChem CID:

135155859

Reduced:

BrO2N4H25C31 (1)

Stoich.:

AB2C4D25E31 (1)

Weight, g/mol:

639.220572

ΔHf, kcal/mol:

57.0

Dipole, Da:

2.65

IP(EA), eV:

 -9.34(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]benzoyl]piperidin-4-yl]-5-fluoro-3H-imidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations