Geometry & MOs

Info

ID:	95296
PubChem CID:	50007929
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-168.93
Dipole, Da:	7.52
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(propylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)C

DOS

IR

Vibrations