Geometry & MOs

Info

ID:	158689
PubChem CID:	56464786
Reduced:	ClSN3O4C22H28 (1)
Stoich.:	ABC3D4E22F28 (1)
Weight, g/mol:	435.138341
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	9.37
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=C(C=C2)Cl)N(C)C3CC3

DOS

IR

Vibrations