Geometry & MOs

Info

ID:	173513
PubChem CID:	75647358
Reduced:	SCl2N2O2H9C16 (1)
Stoich.:	AB2C2D2E9F16 (1)
Weight, g/mol:	353.041845
ΔH_f, kcal/mol:	19.29
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992608
Charge, e:	-1

Chem-info

IUPAC name:

5-(5-oxo-4-pyridin-2-ylthiolan-3-yl)-3-pyridin-2-ylthiophen-2-olate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)S2)[O-]

DOS

IR

Vibrations