Geometry & MOs

Info

ID:

94787

PubChem CID:

50003946

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-174.53

Dipole, Da:

6.9

IP(EA), eV:

 -9.02(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N4CCCCC4)C

DOS

IR

Vibrations