Geometry & MOs

Info

ID:	88274
PubChem CID:	49902715
Reduced:	SCl2N2O4H14C19 (1)
Stoich.:	AB2C2D4E14F19 (1)
Weight, g/mol:	568.03037
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	4.22
IP(EA), eV:	-9.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations