Geometry & MOs

Info

ID:	18370
PubChem CID:	539975
Reduced:	N2S2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	284.028935
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylsulfonyl-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C(SC(=N1)S(=O)(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations