Geometry & MOs

Info

ID:	227529
PubChem CID:	87561929
Reduced:	ClNaSH2C4O4 (1)
Stoich.:	ABCD2E4F4 (1)
Weight, g/mol:	206.115424
ΔH_f, kcal/mol:	-174.87
Dipole, Da:	11.85
IP(EA), eV:	-9.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;4-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1S(=O)(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations