Geometry & MOs

Info

ID:	158301
PubChem CID:	56463323
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	490.224991
ΔH_f, kcal/mol:	0.21
Dipole, Da:	3.76
IP(EA), eV:	-8.35(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations