Geometry & MOs

Info

ID:

110760

PubChem CID:

50339024

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-284.93

Dipole, Da:

16.04

IP(EA), eV:

 -8.84(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropanoylamino)phenyl]-1-[1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)F)F)C)F

DOS

IR

Vibrations