Geometry & MOs

Info

ID:	93220
PubChem CID:	49992582
Reduced:	F2O3N4C29H36 (1)
Stoich.:	A2B3C4D29E36 (1)
Weight, g/mol:	558.216446
ΔH_f, kcal/mol:	-209.26
Dipole, Da:	8.54
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations