Geometry & MOs

Info

ID:	121172
PubChem CID:	50757956
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	390.01499
ΔH_f, kcal/mol:	22.76
Dipole, Da:	4.06
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(N2)C=CC=N3

DOS

IR

Vibrations