Geometry & MOs

Info

ID:

325140

PubChem CID:

126681386

Reduced:

NO2H21C34 (1)

Stoich.:

AB2C21D34 (1)

Weight, g/mol:

1278.582562

ΔHf, kcal/mol:

81.14

Dipole, Da:

1.92

IP(EA), eV:

 -8.34(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[8,8-bis(3,7-dimethyloctyl)-4-methyl-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]-8,8-bis(3,7-dimethyloctyl)-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraen-11-yl]-6-fluoro-7-methyl-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)OC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)NC8=CC=CC=C87

DOS

IR

Vibrations