Geometry & MOs

Info

ID:	227666
PubChem CID:	87562194
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	231.911172
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	5.73
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-chloropyrimidine-5-sulfonate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)NCC(C=O)OC3CC(NC3)C(=O)O

DOS

IR

Vibrations