Geometry & MOs

Info

ID:	120688
PubChem CID:	50740169
Reduced:	BrClSN2O3H18C21 (1)
Stoich.:	ABCD2E3F18G21 (1)
Weight, g/mol:	422.02741
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	5.38
IP(EA), eV:	-8.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations