Geometry & MOs

Info

ID:

111952

PubChem CID:

50388259

Reduced:

F2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-220.35

Dipole, Da:

10.1

IP(EA), eV:

 -8.83(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(5-fluoro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5CCCC5

DOS

IR

Vibrations