Geometry & MOs

Info

ID:

94569

PubChem CID:

50002381

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-224.27

Dipole, Da:

6.15

IP(EA), eV:

 -8.68(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propanoylamino)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C(C)C

DOS

IR

Vibrations