Geometry & MOs

Info

ID:	152943
PubChem CID:	56312039
Reduced:	IO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	497.209676
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	1.72
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)I

DOS

IR

Vibrations