Geometry & MOs

Info

ID:	87694
PubChem CID:	49896585
Reduced:	BrNSO6H20C22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	571.03143
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	5.05
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC(=O)OC)OC)/SC2=O

DOS

IR

Vibrations