Geometry & MOs

Info

ID:	87038
PubChem CID:	49890832
Reduced:	BrSN2O5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	436.97327
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	4.67
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)Br)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)NC(=O)S3)OC

DOS

IR

Vibrations