Geometry & MOs

Info

ID:	92515
PubChem CID:	49987482
Reduced:	ClN4O4C29H37 (1)
Stoich.:	AB4C4D29E37 (1)
Weight, g/mol:	544.200796
ΔH_f, kcal/mol:	-163.77
Dipole, Da:	5.88
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(3,5-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations