Geometry & MOs

Info

ID:

113945

PubChem CID:

50465498

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-176.09

Dipole, Da:

7.06

IP(EA), eV:

 -8.97(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations