Geometry & MOs

Info

ID:	321999
PubChem CID:	126667875
Reduced:	SH6O6C7 (1)
Stoich.:	AB6C6D7 (1)
Weight, g/mol:	374.055716
ΔH_f, kcal/mol:	-215.92
Dipole, Da:	5.92
IP(EA), eV:	-9.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl) 6-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC=O)S(=O)(=O)O)O

DOS

IR

Vibrations