Geometry & MOs

Info

ID:

1011

PubChem CID:

3664

Reduced:

O5H13C15 (2)

Stoich.:

A5B13C15 (2)

Weight, g/mol:

546.152597

ΔHf, kcal/mol:

-334.05

Dipole, Da:

5.74

IP(EA), eV:

 -8.62(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione

Drug info:

PubChemData

Smile

CC(=O)C1C2=C3C4=C(CC1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC

DOS

IR

Vibrations