Geometry & MOs

Info

ID:

111556

PubChem CID:

50372364

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

558.216446

ΔHf, kcal/mol:

-274.34

Dipole, Da:

4.81

IP(EA), eV:

 -8.79(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5CCCC5

DOS

IR

Vibrations