Geometry & MOs

Info

ID:	390545
PubChem CID:	134999651
Reduced:	NNaSO4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	227.025229
ΔH_f, kcal/mol:	-160.63
Dipole, Da:	10.07
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-1,2-benzoxazol-3-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NO2)CS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations