Geometry & MOs

Info

ID:

7660

PubChem CID:

73676

Reduced:

O5H6C9 (2)

Stoich.:

A5B6C9 (2)

Weight, g/mol:

388.043047

ΔHf, kcal/mol:

-315.82

Dipole, Da:

6.14

IP(EA), eV:

 -9.7(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,17-dihydroxy-12-(hydroxymethyl)-4-(hydroxymethylidene)-7-methyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),6,11,14-pentaene-5,9,13-trione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CO)C2=C1C(=O)OC3=C(C(=O)C4=C(OC(C4=C3O2)O)O)CO

DOS

IR

Vibrations