Geometry & MOs

Info

ID:	60582
PubChem CID:	26697227
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	0.42
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)SC

DOS

IR

Vibrations