Geometry & MOs

Info

ID:	86696
PubChem CID:	49888526
Reduced:	ClNSO4H12C18 (1)
Stoich.:	ABCD4E12F18 (1)
Weight, g/mol:	401.085242
ΔH_f, kcal/mol:	-106.69
Dipole, Da:	3.32
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-butan-2-yloxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations