Geometry & MOs

Info

ID:

192697

PubChem CID:

78302676

Reduced:

ClO3C12H13 (2)

Stoich.:

AB3C12D13 (2)

Weight, g/mol:

560.03681

ΔHf, kcal/mol:

-238.98

Dipole, Da:

2.58

IP(EA), eV:

 -9.77(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10a-(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)oxy-3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Drug info:

PubChemData

Smile

CC1(C(CCC(=C)C1OC23C(=CC(C(O2)(C)C)Cl)C(=O)C4=C(C3=O)C=C(C=C4O)O)Cl)C

DOS

IR

Vibrations