Geometry & MOs

Info

ID:	86565
PubChem CID:	49887141
Reduced:	BrNSO4H16C24 (1)
Stoich.:	ABCD4E16F24 (1)
Weight, g/mol:	419.099143
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	4.91
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)/SC2=O

DOS

IR

Vibrations