Geometry & MOs

Info

ID:	207607
PubChem CID:	80426003
Reduced:	BrN2S2C8H13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	269.968833
ΔH_f, kcal/mol:	24.92
Dipole, Da:	1.48
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCC(C)CBr

DOS

IR

Vibrations