Geometry & MOs

Info

ID:	5892
PubChem CID:	13963
Reduced:	SH4C5O5 (2)
Stoich.:	AB4C5D5 (2)
Weight, g/mol:	351.955889
ΔH_f, kcal/mol:	-368.26
Dipole, Da:	7.4
IP(EA), eV:	-9.6(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations