Geometry & MOs

Info

ID:	87061
PubChem CID:	49891464
Reduced:	ClFSN3O3H17C24 (1)
Stoich.:	ABCD3E3F17G24 (1)
Weight, g/mol:	420.97836
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	7.19
IP(EA), eV:	-8.91(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F)Cl

DOS

IR

Vibrations