Geometry & MOs

Info

ID:	310046
PubChem CID:	126573187
Reduced:	ClSN2O4H7C11 (1)
Stoich.:	ABC2D4E7F11 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	7.88
IP(EA), eV:	-10.24(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-ol;1H-pyridine-2-thione

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations