Geometry & MOs

Info

ID:	88232
PubChem CID:	49902474
Reduced:	BrNSCl2O3H12C21 (1)
Stoich.:	ABCD2E3F12G21 (1)
Weight, g/mol:	565.09224
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.74
IP(EA), eV:	-9.12(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations