Geometry & MOs

Info

ID:

112319

PubChem CID:

50401931

Reduced:

F2N6O6C43H52 (1)

Stoich.:

A2B6C6D43E52 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-318.11

Dipole, Da:

6.36

IP(EA), eV:

 -8.71(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations