Geometry & MOs

Info

ID:	66427
PubChem CID:	46504553
Reduced:	ClS2O3N4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	459.139882
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	5.62
IP(EA), eV:	-8.95(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations