Geometry & MOs

Info

ID:	299153
PubChem CID:	117673268
Reduced:	N2C23H38 (2)
Stoich.:	A2B23C38 (2)
Weight, g/mol:	474.262623
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	0.08
IP(EA), eV:	-8.89(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-bis(2-ethylhexoxy)-2,6-dimethylthieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

CCCCCCCCC1(N=C2C(=CC3=C(C2=N1)C=C(C4=NC(N=C34)(CCCCCCCC)CCCCCCCC)C)C)CCCCCCCC

DOS

IR

Vibrations