Geometry & MOs

Info

ID:	408629
PubChem CID:	135081397
Reduced:	ClNH2S3C4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	74.14
Dipole, Da:	4.37
IP(EA), eV:	-8.49(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-2-oxoethyl)-3-phenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

C1=C2C(=CS1)S(=NS2)Cl

DOS

IR

Vibrations