Geometry & MOs

Info

ID:

93844

PubChem CID:

49997143

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

550.297762

ΔHf, kcal/mol:

-190.9

Dipole, Da:

5.61

IP(EA), eV:

 -9.09(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations