Geometry & MOs

Info

ID:

82699

PubChem CID:

49856364

Reduced:

O9H30C32 (1)

Stoich.:

A9B30C32 (1)

Weight, g/mol:

548.158351

ΔHf, kcal/mol:

-293.01

Dipole, Da:

4.18

IP(EA), eV:

 -9.25(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9R,10R)-9-(3-cyanobenzoyl)oxy-2-ethyl-8,8-dimethyl-4-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-cyanobenzoate

Drug info:

PubChemData

Smile

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4=CC(=CC=C4)OC)OC(=O)C5=CC(=CC=C5)OC)(C)C

DOS

IR

Vibrations