Geometry & MOs

Info

ID:

219405

PubChem CID:

85148367

Reduced:

O13H20C21 (1)

Stoich.:

A13B20C21 (1)

Weight, g/mol:

480.066108

ΔHf, kcal/mol:

-478.24

Dipole, Da:

7.36

IP(EA), eV:

 -8.92(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-ene-12,17-dione

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)(CO)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O

DOS

IR

Vibrations