Geometry & MOs

Info

ID:	87370
PubChem CID:	49894333
Reduced:	BrNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	666.91751
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	2.19
IP(EA), eV:	-9.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)O)/SC2=O

DOS

IR

Vibrations