Geometry & MOs

Info

ID:	86817
PubChem CID:	49889529
Reduced:	ClFSN2O4H10C17 (1)
Stoich.:	ABCD2E4F10G17 (1)
Weight, g/mol:	421.114793
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	4.71
IP(EA), eV:	-9.89(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations