Geometry & MOs

Info

ID:

48533

PubChem CID:

11078846

Reduced:

O2C11H15 (2)

Stoich.:

A2B11C15 (2)

Weight, g/mol:

455.140259

ΔHf, kcal/mol:

-169.62

Dipole, Da:

7.4

IP(EA), eV:

 -8.85(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[6-[2-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]propoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/OC1=C(C(=C(C(=C1)O)C(=O)C)O)CC=C(C)C)/C)C

DOS

IR

Vibrations