Geometry & MOs

Info

ID:

100637

PubChem CID:

50063330

Reduced:

F4O4N5C36H41 (1)

Stoich.:

A4B4C5D36E41 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-350.64

Dipole, Da:

4.39

IP(EA), eV:

 -8.63(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations