Geometry & MOs

Info

ID:	177532
PubChem CID:	76197888
Reduced:	CuNCl2O3C15H31 (1)
Stoich.:	ABC2D3E15F31 (1)
Weight, g/mol:	282.967866
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	7.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.778776
Charge, e:	1

Chem-info

IUPAC name:

potassium;3-(4-sulfooxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC[OH+]CC[OH+]CC[OH+]C1CCCC2C1[N-]CCC2.Cl[Cu]Cl

DOS

IR

Vibrations