Geometry & MOs

Info

ID:

111831

PubChem CID:

50382570

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

575.347155

ΔHf, kcal/mol:

-191.21

Dipole, Da:

6.82

IP(EA), eV:

 -8.58(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-methyl-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C(C)C)C

DOS

IR

Vibrations