Geometry & MOs

Info

ID:	88419
PubChem CID:	49903371
Reduced:	BrNSCl2O5H12C19 (1)
Stoich.:	ABCD2E5F12G19 (1)
Weight, g/mol:	554.01472
ΔH_f, kcal/mol:	-148.14
Dipole, Da:	2.9
IP(EA), eV:	-9.81(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)/SC2=O)Br

DOS

IR

Vibrations