Geometry & MOs

Info

ID:	42959
PubChem CID:	10317426
Reduced:	SO2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	376.128847
ΔH_f, kcal/mol:	-180.1
Dipole, Da:	2.86
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dideuterio-1,4-diphenyl-4-thiophen-3-ylbutyl)thiophene

Drug info:

PubChemData

Smile

CCCCCCC(CCCC=C)OC(C(=O)OC)SC(=S)OCC

DOS

IR

Vibrations