Geometry & MOs

Info

ID:

92637

PubChem CID:

49988662

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

631.298154

ΔHf, kcal/mol:

-223.44

Dipole, Da:

5.55

IP(EA), eV:

 -8.89(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]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=CC(=C4)F)C

DOS

IR

Vibrations