Geometry & MOs

Info

ID:	113558
PubChem CID:	50450967
Reduced:	O4N5C34H41 (1)
Stoich.:	A4B5C34D41 (1)
Weight, g/mol:	575.229932
ΔH_f, kcal/mol:	-138.37
Dipole, Da:	5.17
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations