Geometry & MOs

Info

ID:	121171
PubChem CID:	50757955
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	4.35
IP(EA), eV:	-8.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations