Geometry & MOs

Info

ID:	66069
PubChem CID:	46490966
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	4.91
IP(EA), eV:	-7.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C)C

DOS

IR

Vibrations