Geometry & MOs

Info

ID:

114265

PubChem CID:

50476362

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

746.299489

ΔHf, kcal/mol:

-238.8

Dipole, Da:

2.08

IP(EA), eV:

 -8.76(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)C)F

DOS

IR

Vibrations