Geometry & MOs

Info

ID:	238046
PubChem CID:	92728935
Reduced:	ClN3O3C28H28 (1)
Stoich.:	AB3C3D28E28 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	3.95
IP(EA), eV:	-9.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-ethyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations