Geometry & MOs

Info

ID:

114292

PubChem CID:

50477765

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-243.68

Dipole, Da:

2.12

IP(EA), eV:

 -8.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6CCCCC6)C)F

DOS

IR

Vibrations