Geometry & MOs

Info

ID:	446664
PubChem CID:	135276777
Reduced:	NNaSO5C8H16 (1)
Stoich.:	ABCD5E8F16 (1)
Weight, g/mol:	322.006658
ΔH_f, kcal/mol:	-229.65
Dipole, Da:	5.09
IP(EA), eV:	-9.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonyl-2H-chromen-2-ol

Drug info:

PubChemData

Smile

CCCCCS(=O)(=O)[O-].C(C1C(=O)N1)O.[Na+]

DOS

IR

Vibrations