Geometry & MOs

Info

ID:

92636

PubChem CID:

49988661

Reduced:

F3O4N5C31H38 (1)

Stoich.:

A3B4C5D31E38 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-294.58

Dipole, Da:

2.58

IP(EA), eV:

 -8.98(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(5-fluoro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations