Geometry & MOs

Info

ID:	86915
PubChem CID:	49889987
Reduced:	BrClFNSO5H16C25 (1)
Stoich.:	ABCDEF5G16H25 (1)
Weight, g/mol:	374.037271
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	1.12
IP(EA), eV:	-9.35(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations