Geometry & MOs

Info

ID:	87087
PubChem CID:	49891806
Reduced:	FNSBr2O4H12C18 (1)
Stoich.:	ABCD2E4F12G18 (1)
Weight, g/mol:	606.92868
ΔH_f, kcal/mol:	-133.15
Dipole, Da:	3.5
IP(EA), eV:	-9.14(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)Br

DOS

IR

Vibrations