Geometry & MOs

Info

ID:

95182

PubChem CID:

50006855

Reduced:

F2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

682.384269

ΔHf, kcal/mol:

-288.8

Dipole, Da:

6.7

IP(EA), eV:

 -8.82(-0.84)

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-[3-methyl-1-oxo-1-[2-(phenylcarbamoyl)anilino]butan-2-yl]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)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations