Geometry & MOs

Info

ID:

218104

PubChem CID:

85088885

Reduced:

F2N2O4C23H24 (1)

Stoich.:

A2B2C4D23E24 (1)

Weight, g/mol:

430.199153

ΔHf, kcal/mol:

-204.83

Dipole, Da:

5.61

IP(EA), eV:

 -9.13(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-1',9a-dimethyl-1-oxo-5'-(6-oxopyran-3-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC(F)F)OCC4CC4

DOS

IR

Vibrations