Geometry & MOs

Info

ID:	8993
PubChem CID:	84843
Reduced:	SO6H8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	256.004159
ΔH_f, kcal/mol:	-210.08
Dipole, Da:	7.66
IP(EA), eV:	-9.63(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxochromen-7-yl) hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)O

DOS

IR

Vibrations