Geometry & MOs

Info

ID:	86726
PubChem CID:	49888706
Reduced:	ClSN2O5H11C17 (1)
Stoich.:	ABC2D5E11F17 (1)
Weight, g/mol:	533.002212
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	4.51
IP(EA), eV:	-9.77(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations