Geometry & MOs

Info

ID:	238043
PubChem CID:	92728925
Reduced:	Cl2N3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	5.22
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-acetamidobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations