Geometry & MOs

Info

ID:	195423
PubChem CID:	78684427
Reduced:	OS3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	406.998753
ΔH_f, kcal/mol:	62.62
Dipole, Da:	8.67
IP(EA), eV:	-8.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations