Geometry & MOs

Info

ID:

219521

PubChem CID:

85149084

Reduced:

O13C26H36 (1)

Stoich.:

A13B26C36 (1)

Weight, g/mol:

556.173332

ΔHf, kcal/mol:

-531.21

Dipole, Da:

4.46

IP(EA), eV:

 -9.07(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,10,14,19,21-pentahydroxy-18-(1-hydroxy-4-methylpent-3-enyl)-12-(3-methylbut-2-enyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),6,10,12,14,17,19-nonaene-5,8,16-trione

Drug info:

PubChemData

Smile

CC(=O)OCC1C2C(C(C(O1)OCCOCCOC3=CC=CC=C3OCCOCCO2)OC(=O)C)OC(=O)C

DOS

IR

Vibrations