Geometry & MOs

Info

ID:	95297
PubChem CID:	50007930
Reduced:	ClO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	561.214282
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	10.35
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations