Geometry & MOs

Info

ID:	86980
PubChem CID:	49890317
Reduced:	SCl2N2O5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	443.97794
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	2.97
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-bromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=C(C=C(C=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations