Geometry & MOs

Info

ID:

111948

PubChem CID:

50387883

Reduced:

ClN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-220.13

Dipole, Da:

1.69

IP(EA), eV:

 -8.61(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations