Geometry & MOs

Info

ID:

109446

PubChem CID:

50284254

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-257.87

Dipole, Da:

9.48

IP(EA), eV:

 -8.94(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC(C)C)OC

DOS

IR

Vibrations