Geometry & MOs

Info

ID:

394544

PubChem CID:

135023162

Reduced:

O8H15C23 (1)

Stoich.:

A8B15C23 (1)

Weight, g/mol:

364.24023

ΔHf, kcal/mol:

-185.0

Dipole, Da:

10.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.781741

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-6,21,21-trimethylhexacyclo[13.5.2.02,14.03,11.06,10.016,20]docosa-2(14),17-diene-7,22-dione

Drug info:

PubChemData

Smile

CC(=O)/C(=C(/C1=CC2=CC=CC=C2OC1=O)\O)/C3C(C(=O)C4=CC=CC=C4O3)C(=O)[O-]

DOS

IR

Vibrations