Geometry & MOs

Info

ID:	87050
PubChem CID:	49891220
Reduced:	BrNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	532.93608
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	5.0
IP(EA), eV:	-8.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations