Geometry & MOs

Info

ID:	266592
PubChem CID:	103574063
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	242.058874
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	5.36
IP(EA), eV:	-9.61(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-cyclopropyl-1-hydroxycyclohexane-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2C(O)S(=O)(=O)O

DOS

IR

Vibrations