Geometry & MOs

Info

ID:	152354
PubChem CID:	56311269
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	4.66
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations