Geometry & MOs

Info

ID:

93417

PubChem CID:

49994872

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-240.94

Dipole, Da:

9.45

IP(EA), eV:

 -8.72(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(phenylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations