Geometry & MOs

Info

ID:

98212

PubChem CID:

50040816

Reduced:

ClF2O5N6C41H47 (1)

Stoich.:

AB2C5D6E41F47 (1)

Weight, g/mol:

764.290067

ΔHf, kcal/mol:

-273.31

Dipole, Da:

6.37

IP(EA), eV:

 -9.2(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C)Cl

DOS

IR

Vibrations