Geometry & MOs

Info

ID:	155270
PubChem CID:	56352853
Reduced:	O3S3N4C17H24 (1)
Stoich.:	A3B3C4D17E24 (1)
Weight, g/mol:	421.043395
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	5.42
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN(C1CCS(=O)(=O)C1)C(=O)C(C)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations