Geometry & MOs

Info

ID:	86693
PubChem CID:	49888523
Reduced:	BrNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	514.9455
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	5.39
IP(EA), eV:	-9.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)Br)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations