Geometry & MOs

Info

ID:	106634
PubChem CID:	50171074
Reduced:	BrFO3N4C29H36 (1)
Stoich.:	ABC3D4E29F36 (1)
Weight, g/mol:	522.300619
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	4.3
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations