Geometry & MOs

Info

ID:

99765

PubChem CID:

50054843

Reduced:

F3O5N6H39C40 (1)

Stoich.:

A3B5C6D39E40 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-272.55

Dipole, Da:

11.89

IP(EA), eV:

 -8.69(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=C(C=C6)F)F

DOS

IR

Vibrations