Geometry & MOs

Info

ID:

181998

PubChem CID:

76825339

Reduced:

NCl2O5C14H15 (1)

Stoich.:

AB2C5D14E15 (1)

Weight, g/mol:

792.496505

ΔHf, kcal/mol:

-197.27

Dipole, Da:

5.22

IP(EA), eV:

 -9.29(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl)butylidene]-2-hepta-1,3,5-triynyl-7,8-bis(phenylmethoxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C(COC(=O)CCl)C(=O)O)C(=O)CCl

DOS

IR

Vibrations