Geometry & MOs

Info

ID:	152925
PubChem CID:	56312018
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	4.79
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations