Geometry & MOs

Info

ID:	175223
PubChem CID:	75869437
Reduced:	SCl2O2N5H11C17 (1)
Stoich.:	AB2C2D5E11F17 (1)
Weight, g/mol:	402.04015
ΔH_f, kcal/mol:	36.7
Dipole, Da:	8.45
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CC(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations