Geometry & MOs

Info

ID:	153242
PubChem CID:	56312405
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	2.59
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3SC

DOS

IR

Vibrations