Geometry & MOs

Info

ID:

99232

PubChem CID:

50049197

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-202.94

Dipole, Da:

13.35

IP(EA), eV:

 -8.66(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations