Geometry & MOs

Info

ID:

82700

PubChem CID:

49856365

Reduced:

N2O7H24C32 (1)

Stoich.:

A2B7C24D32 (1)

Weight, g/mol:

526.199153

ΔHf, kcal/mol:

-147.01

Dipole, Da:

9.24

IP(EA), eV:

 -9.54(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C#N)OC(=O)C5=CC=CC(=C5)C#N)(C)C

DOS

IR

Vibrations