Geometry & MOs

Info

ID:	197032
PubChem CID:	78910757
Reduced:	ClNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	347.03031
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	0.78
IP(EA), eV:	-9.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1C(C(CS1(=O)=O)Cl)NC(=O)CCOC2=CC=CC=C2

DOS

IR

Vibrations