Geometry & MOs

Info

ID:

92570

PubChem CID:

49988140

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-218.13

Dipole, Da:

10.49

IP(EA), eV:

 -8.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-chloroanilino)-2-oxoethyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)F)F

DOS

IR

Vibrations