Geometry & MOs

Info

ID:	337182
PubChem CID:	127256747
Reduced:	N2P2S4O7C40H82 (1)
Stoich.:	A2B2C4D7E40F82 (1)
Weight, g/mol:	278.116293
ΔH_f, kcal/mol:	-619.74
Dipole, Da:	3.98
IP(EA), eV:	-9.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octan-4-yl-3-thiophen-3-ylthiophene

Drug info:

PubChemData

Smile

CCCCCCCCOP(=S)(OCCCCCCCC)SC(CC(=O)NCOCNC(=O)CC)SP(=S)(OCCCCCCCC)OCCCCCCCC

DOS

IR

Vibrations