Geometry & MOs

Info

ID:	111514
PubChem CID:	50370714
Reduced:	ClO5N6C32H41 (1)
Stoich.:	AB5C6D32E41 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-218.52
Dipole, Da:	7.84
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations