Geometry & MOs

Info

ID:

15461

PubChem CID:

442276

Reduced:

O7C15H18 (1)

Stoich.:

A7B15C18 (1)

Weight, g/mol:

310.105253

ΔHf, kcal/mol:

-214.33

Dipole, Da:

5.84

IP(EA), eV:

 -10.61(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3S,5R,6R,7R,8S,9S)-2,8,12-trihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one

Drug info:

PubChemData

Smile

CC(=C)C1([C@@H]2[C@H]([C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O)O

DOS

IR

Vibrations