Geometry & MOs

Info

ID:

93664

PubChem CID:

49995946

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-248.33

Dipole, Da:

6.89

IP(EA), eV:

 -8.97(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations