Geometry & MOs

Info

ID:	242830
PubChem CID:	99213257
Reduced:	ClSO2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	408.01176
ΔH_f, kcal/mol:	85.37
Dipole, Da:	5.84
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(methanesulfonamido)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OCC4=CN5C=CC=CC5=N4)Cl

DOS

IR

Vibrations