Geometry & MOs

Info

ID:	229619
PubChem CID:	87568203
Reduced:	SF3N4O6C23H27 (1)
Stoich.:	AB3C4D6E23F27 (1)
Weight, g/mol:	277.038473
ΔH_f, kcal/mol:	-326.31
Dipole, Da:	3.43
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2R)-2-[2-(2,4-dihydroxyphenyl)ethylideneamino]-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=NN1CC2=CC=C(C=C2)OC)/C=C/3\CNCCC3SC(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations