Geometry & MOs

Info

ID:	336913
PubChem CID:	127255920
Reduced:	N4O6C29H30 (1)
Stoich.:	A4B6C29D30 (1)
Weight, g/mol:	690.342137
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	4.36
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-bis[5-(2-butyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C=N/NOC(=O)OCC)C(=O)OCC

DOS

IR

Vibrations