Geometry & MOs

Info

ID:	25448
PubChem CID:	625193
Reduced:	OB2S2C25H36 (1)
Stoich.:	AB2C2D25E36 (1)
Weight, g/mol:	284.97004
ΔH_f, kcal/mol:	189.08
Dipole, Da:	7.85
IP(EA), eV:	-7.29(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-5-(4-nitrophenyl)sulfanyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)OC3=CC=CC=C3CCC(=S)SB4C5CCCC4CCC5

DOS

IR

Vibrations