Geometry & MOs

Info

ID:	153136
PubChem CID:	56312280
Reduced:	SN3O4C25H37 (1)
Stoich.:	AB3C4D25E37 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	5.13
IP(EA), eV:	-9.14(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N,2-diphenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations