Geometry & MOs

Info

ID:	326993
PubChem CID:	126688811
Reduced:	ClSO5N8C18H25 (1)
Stoich.:	ABC5D8E18F25 (1)
Weight, g/mol:	185.012259
ΔH_f, kcal/mol:	-115.84
Dipole, Da:	5.83
IP(EA), eV:	-8.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-cyano-2-methylpropane-1-sulfonate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)N5CCOCC5)Cl

DOS

IR

Vibrations