Geometry & MOs

Info

ID:	238029
PubChem CID:	92728884
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	7.94
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[(4-methylbenzoyl)amino]benzoyl]-N-propan-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations