Geometry & MOs

Info

ID:

178841

PubChem CID:

76388510

Reduced:

O9C26H38 (1)

Stoich.:

A9B26C38 (1)

Weight, g/mol:

722.460513

ΔHf, kcal/mol:

-391.39

Dipole, Da:

5.28

IP(EA), eV:

 -10.06(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,5,14-triacetyloxy-10-hydroxy-10,14-dimethyl-3-propan-2-ylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-6,2'-oxirane]-11-yl) tetradecanoate

Drug info:

PubChemData

Smile

CC(C)C1C2C(C3CC(=C)C(CCC(C2O3)(C)OC(=O)C)O)C4(CO4)C(C1OC(=O)C)OC(=O)C

DOS

IR

Vibrations