Geometry & MOs

Info

ID:

98454

PubChem CID:

50044301

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

627.246867

ΔHf, kcal/mol:

-182.69

Dipole, Da:

9.86

IP(EA), eV:

 -9.01(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,5-difluoroanilino)-3-oxopropyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations