Geometry & MOs

Info

ID:	87103
PubChem CID:	49892093
Reduced:	ClFSN2O2H18C23 (1)
Stoich.:	ABCD2E2F18G23 (1)
Weight, g/mol:	450.98892
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	8.45
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations