Geometry & MOs

Info

ID:	238028
PubChem CID:	92728881
Reduced:	ClN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	7.2
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations