Geometry & MOs

Info

ID:	132880
PubChem CID:	51438989
Reduced:	FOSN4C22H31 (1)
Stoich.:	ABCD4E22F31 (1)
Weight, g/mol:	375.97554
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	4.42
IP(EA), eV:	-9.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-bromoimidazo[4,5-b]pyridin-3-id-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(N2CC(C)C)C3=CC=CC=C3F

DOS

IR

Vibrations