Geometry & MOs

Info

ID:

112837

PubChem CID:

50421972

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-276.32

Dipole, Da:

5.47

IP(EA), eV:

 -8.82(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations