Geometry & MOs

Info

ID:	86606
PubChem CID:	49887562
Reduced:	ClSN2O5H11C17 (1)
Stoich.:	ABC2D5E11F17 (1)
Weight, g/mol:	400.101227
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	3.77
IP(EA), eV:	-9.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/SC2=O)Cl

DOS

IR

Vibrations