Geometry & MOs

Info

ID:	88432
PubChem CID:	49903506
Reduced:	BrNSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	568.03037
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	2.06
IP(EA), eV:	-9.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations