Geometry & MOs

Info

ID:	20786
PubChem CID:	585676
Reduced:	BrSN2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	315.96698
ΔH_f, kcal/mol:	105.49
Dipole, Da:	3.81
IP(EA), eV:	-9.34(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations