Geometry & MOs

Info

ID:	207606
PubChem CID:	80425732
Reduced:	O2S2N3C5H7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	279.97035
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	4.89
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-methylpropyl)sulfanyl-3-ethyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

C1=NSC(=N1)SCC(C(=O)O)N

DOS

IR

Vibrations