Geometry & MOs

Info

ID:	85418
PubChem CID:	49874958
Reduced:	BrNSC4H6 (1)
Stoich.:	ABCD4E6 (1)
Weight, g/mol:	421.941978
ΔH_f, kcal/mol:	1.62
Dipole, Da:	1.32
IP(EA), eV:	-8.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dithiophen-2-ylmethyldisulfanyl)-thiophen-2-ylmethyl]thiophene

Drug info:

PubChemData

Smile

C1=CSC(=C1)[NH3+].[Br-]

DOS

IR

Vibrations