Geometry & MOs

Info

ID:	110647
PubChem CID:	50333812
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-172.85
Dipole, Da:	7.95
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)CC)C

DOS

IR

Vibrations