Geometry & MOs

Info

ID:	88356
PubChem CID:	49903032
Reduced:	BrNSO6H16C20 (1)
Stoich.:	ABCD6E16F20 (1)
Weight, g/mol:	497.00966
ΔH_f, kcal/mol:	-168.28
Dipole, Da:	5.77
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations