Geometry & MOs

Info

ID:	171084
PubChem CID:	75325871
Reduced:	SCl3N3O3H14C23 (1)
Stoich.:	AB3C3D3E14F23 (1)
Weight, g/mol:	450.057169
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	7.36
IP(EA), eV:	-8.88(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dichlorophenyl)methyl]-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NN=C2C=CC(=O)C(=C2)C=C3C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)Cl

DOS

IR

Vibrations