Geometry & MOs

Info

ID:

398827

PubChem CID:

135035626

Reduced:

OS2H30C32 (1)

Stoich.:

AB2C30D32 (1)

Weight, g/mol:

490.162768

ΔHf, kcal/mol:

51.78

Dipole, Da:

2.57

IP(EA), eV:

 -8.32(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4bS,8aS,9S)-9-[(2E,4E)-hexa-2,4-dienoyl]-4,6-dihydroxy-3,7-dimethyl-4b-[(3E,5E)-2-oxohepta-3,5-dienyl]-8a,9-dihydrofluorene-1,2,5,8-tetrone

Drug info:

PubChemData

Smile

C1C[C@H](C(=O)[C@H](C1)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)[C@@H](C4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations