Geometry & MOs

Info

ID:

108235

PubChem CID:

50236910

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-254.42

Dipole, Da:

5.42

IP(EA), eV:

 -8.99(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N(C)C)Cl

DOS

IR

Vibrations