Geometry & MOs

Info

ID:	171069
PubChem CID:	75322561
Reduced:	ClINSO4H23C27 (1)
Stoich.:	ABCDE4F23G27 (1)
Weight, g/mol:	425.16608
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	1.14
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-butan-2-yloxy-3-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)I)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations