Geometry & MOs

Info

ID:

104135

PubChem CID:

50092156

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-231.88

Dipole, Da:

13.5

IP(EA), eV:

 -8.9(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-fluorobenzoyl)amino]phenyl]-1-[1-[2-[5-[(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=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5C(=O)NC(C)C)C)F

DOS

IR

Vibrations