Geometry & MOs

Info

ID:

164639

PubChem CID:

74429597

Reduced:

O9C38H46 (1)

Stoich.:

A9B38C46 (1)

Weight, g/mol:

576.272318

ΔHf, kcal/mol:

-353.06

Dipole, Da:

10.68

IP(EA), eV:

 -9.31(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-hydroxy-19-(4-hydroxy-3-methylbut-2-enyl)-17-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione

Drug info:

PubChemData

Smile

CC(=CCCC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC45C6CC(C=C4C2=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C

DOS

IR

Vibrations