Geometry & MOs

Info

ID:

104191

PubChem CID:

50096555

Reduced:

F2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-214.04

Dipole, Da:

13.51

IP(EA), eV:

 -8.92(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations