Geometry & MOs

Info

ID:	54544
PubChem CID:	17388867
Reduced:	BrSN2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	85.63
Dipole, Da:	0.43
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(S2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations