Geometry & MOs

Info

ID:	19379
PubChem CID:	562782
Reduced:	ON2S2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	314.054755
ΔH_f, kcal/mol:	63.42
Dipole, Da:	2.0
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(S2)SCC3=CC=CC=C3

DOS

IR

Vibrations