Geometry & MOs

Info

ID:

111471

PubChem CID:

50369709

Reduced:

FO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-233.1

Dipole, Da:

4.17

IP(EA), eV:

 -8.85(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[4-(propanoylamino)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations