Geometry & MOs

Info

ID:

93278

PubChem CID:

49992909

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-235.33

Dipole, Da:

9.48

IP(EA), eV:

 -8.86(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations