Geometry & MOs

Info

ID:

20096

PubChem CID:

579254

Reduced:

O13C32H52 (1)

Stoich.:

A13B32C52 (1)

Weight, g/mol:

644.340792

ΔHf, kcal/mol:

-568.99

Dipole, Da:

14.22

IP(EA), eV:

 -8.77(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC23CCC4C(C2CCC1(C3)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(CCCC4(C)C(=O)O)C

DOS

IR

Vibrations