Geometry & MOs

Info

ID:

318860

PubChem CID:

126653577

Reduced:

NS2C21H30 (2)

Stoich.:

AB2C21D30 (2)

Weight, g/mol:

1259.562578

ΔHf, kcal/mol:

-15.79

Dipole, Da:

0.96

IP(EA), eV:

 -8.35(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2,6-bis[5-(2-hexyldecyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)CC1=CC=C(S1)C2=NC3=C(C4=C(C(=C3S2)C)N=C(S4)C5=CC=C(S5)CC(CCCC)CCCCCC)C

DOS

IR

Vibrations