Geometry & MOs

Info

ID:	229525
PubChem CID:	87567938
Reduced:	N3S3O5C15H19 (1)
Stoich.:	A3B3C5D15E19 (1)
Weight, g/mol:	318.985671
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	8.38
IP(EA), eV:	-8.44(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(2,4-dihydroxyphenyl)ethylideneamino]-3-sulfanylpropanoic acid;zinc

Drug info:

PubChemData

Smile

CCOC(=O)CCSC(=S)C1=C(NON1)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations