Geometry & MOs

Info

ID:	390544
PubChem CID:	134999647
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	249.007173
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	6.44
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(7-methyl-1,2-benzoxazol-3-yl)methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=NO1)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations