Geometry & MOs

Info

ID:

111835

PubChem CID:

50382830

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-184.42

Dipole, Da:

10.41

IP(EA), eV:

 -8.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations