Geometry & MOs

Info

ID:

398225

PubChem CID:

135032353

Reduced:

O3H18C19 (2)

Stoich.:

A3B18C19 (2)

Weight, g/mol:

1027.978643

ΔHf, kcal/mol:

-110.71

Dipole, Da:

7.44

IP(EA), eV:

 -9.06(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[bis(8-methoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)/C=C/CC3=COC4=CC=CC=C4C3=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations