Geometry & MOs

Info

ID:

92563

PubChem CID:

49988034

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

563.310769

ΔHf, kcal/mol:

-212.1

Dipole, Da:

9.32

IP(EA), eV:

 -8.33(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations