Geometry & MOs

Info

ID:

9111

PubChem CID:

86193

Reduced:

O7C16H21 (2)

Stoich.:

A7B16C21 (2)

Weight, g/mol:

650.257456

ΔHf, kcal/mol:

-557.93

Dipole, Da:

6.47

IP(EA), eV:

 -9.76(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,7,11,11-tetramethyl-8,15-dioxospiro[12,16-dioxatetracyclo[8.7.0.01,13.02,7]heptadecane-6,3'-oxirane]-2'-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)OC7C(C(C(C(O7)CO)O)O)O)C)C

DOS

IR

Vibrations