Geometry & MOs

Info

ID:	26746
PubChem CID:	797801
Reduced:	N3O3H15C20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	239.984962
ΔH_f, kcal/mol:	-11.33
Dipole, Da:	3.47
IP(EA), eV:	-9.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylsulfanyl-3H-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

DOS

IR

Vibrations