Geometry & MOs

Info

ID:	124135
PubChem CID:	50873188
Reduced:	SN2O4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	486.049727
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	4.82
IP(EA), eV:	-9.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations