Geometry & MOs

Info

ID:	151824
PubChem CID:	56310637
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	4.14
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations