Geometry & MOs

Info

ID:

107227

PubChem CID:

50195539

Reduced:

ClN6O6C39H51 (1)

Stoich.:

AB6C6D39E51 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-247.41

Dipole, Da:

7.35

IP(EA), eV:

 -8.89(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6CCCCC6

DOS

IR

Vibrations