Geometry & MOs

Info

ID:

82882

PubChem CID:

49856743

Reduced:

O9H34C36 (1)

Stoich.:

A9B34C36 (1)

Weight, g/mol:

510.261754

ΔHf, kcal/mol:

-271.72

Dipole, Da:

5.13

IP(EA), eV:

 -9.0(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations