Geometry & MOs

Info

ID:	121169
PubChem CID:	50757820
Reduced:	FN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	360.08116
ΔH_f, kcal/mol:	-188.99
Dipole, Da:	4.52
IP(EA), eV:	-9.44(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C2(CCN(CC2)C(=O)C)OC1=O)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations