Geometry & MOs

Info

ID:	152559
PubChem CID:	56311515
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	5.93
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations