Geometry & MOs

Info

ID:

192696

PubChem CID:

78302675

Reduced:

O19C42H66 (1)

Stoich.:

A19B42C66 (1)

Weight, g/mol:

480.110644

ΔHf, kcal/mol:

-864.76

Dipole, Da:

5.08

IP(EA), eV:

 -9.95(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-10a-(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)oxy-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O

DOS

IR

Vibrations