Geometry & MOs

Info

ID:

111745

PubChem CID:

50379962

Reduced:

ClN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

551.290783

ΔHf, kcal/mol:

-261.7

Dipole, Da:

6.8

IP(EA), eV:

 -9.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations