Geometry & MOs

Info

ID:

443250

PubChem CID:

135258283

Reduced:

O3N5C18H27 (1)

Stoich.:

A3B5C18D27 (1)

Weight, g/mol:

1534.556313

ΔHf, kcal/mol:

-98.54

Dipole, Da:

1.9

IP(EA), eV:

-9.36(-0.8)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

7-[5-[5-[5-[5-(8-tert-butyldibenzothiophen-2-yl)-3-octylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-4-[5-[5-[5-(5-tert-butyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3CC[C@H](O3)CO

DOS

IR

Vibrations