Geometry & MOs

Info

ID:	121170
PubChem CID:	50757954
Reduced:	ClOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	17.16
Dipole, Da:	6.04
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)SC2=NC3=C(N2)C=CC=N3

DOS

IR

Vibrations