Geometry & MOs

Info

ID:	182749
PubChem CID:	76934938
Reduced:	SN4O4C11H14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	223.077933
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	7.81
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[methoxy(phenyl)methyl]-1,2,4-triazolidine-3-thione

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C2=C(C=C(C=C2)C(=NO)N)[N+](=O)[O-]

DOS

IR

Vibrations