Geometry & MOs

Info

ID:

409204

PubChem CID:

135081983

Reduced:

OC16H16 (1)

Stoich.:

AB16C16 (1)

Weight, g/mol:

342.146724

ΔHf, kcal/mol:

148.05

Dipole, Da:

1.32

IP(EA), eV:

-8.26(0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(12R,15R,16S,17R)-16-hydroxy-11,11,12,15-tetramethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one

Drug info:

PubChemData

Smile

C\1=C\C=C/[C@@H]2[C@H](\C=C1)[C@H]\3[C@@H]2[C@H]4[C@H](O4)/C=C\C=C3

DOS

IR

Vibrations