Geometry & MOs

Info

ID:	152450
PubChem CID:	56311379
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	3.76
IP(EA), eV:	-8.42(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations