Geometry & MOs

Info

ID:	85544
PubChem CID:	49876696
Reduced:	ClN2S2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	200.014817
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.161106
Charge, e:	-1

Chem-info

IUPAC name:

4-(methylamino)-1,1-dioxothiolan-3-ol;chloride

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations