Geometry & MOs

Info

ID:	300525
PubChem CID:	121360405
Reduced:	SN2O3F5C17H17 (1)
Stoich.:	AB2C3D5E17F17 (1)
Weight, g/mol:	358.968892
ΔH_f, kcal/mol:	-263.57
Dipole, Da:	7.89
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC=C(C=C2)S(F)(F)(F)(F)F)N=O

DOS

IR

Vibrations