Geometry & MOs

Info

ID:	86791
PubChem CID:	49889342
Reduced:	ClFSN2O5H12C21 (1)
Stoich.:	ABCD2E5F12G21 (1)
Weight, g/mol:	469.114793
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	5.37
IP(EA), eV:	-9.37(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/SC2=O)F

DOS

IR

Vibrations