Geometry & MOs

Info

ID:	124198
PubChem CID:	50874526
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	8.5
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCN(CC3)C

DOS

IR

Vibrations