Geometry & MOs

Info

ID:	86787
PubChem CID:	49889323
Reduced:	BrFSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	487.021198
ΔH_f, kcal/mol:	-160.6
Dipole, Da:	2.26
IP(EA), eV:	-8.98(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations