Geometry & MOs

Info

ID:	68884
PubChem CID:	46511200
Reduced:	S2N3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	409.112999
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	2.79
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

DOS

IR

Vibrations