Geometry & MOs

Info

ID:	68319
PubChem CID:	46508182
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	388.066383
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	0.6
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1C2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations