Geometry & MOs

Info

ID:

113402

PubChem CID:

50443136

Reduced:

ClF2N6O6C37H41 (1)

Stoich.:

AB2C6D6E37F41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-296.14

Dipole, Da:

7.83

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations