Geometry & MOs

Info

ID:

218619

PubChem CID:

85089700

Reduced:

NS2F3O8C17H18 (1)

Stoich.:

AB2C3D8E17F18 (1)

Weight, g/mol:

493.221286

ΔHf, kcal/mol:

-382.45

Dipole, Da:

3.73

IP(EA), eV:

 -9.44(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-acetyl-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(2-methoxyphenyl)carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C#CC1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC=C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations