Geometry & MOs

Info

ID:	151928
PubChem CID:	56310761
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	3.63
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations