Geometry & MOs

Info

ID:	124096
PubChem CID:	50872521
Reduced:	N3H15C20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	496.00924
ΔH_f, kcal/mol:	132.02
Dipole, Da:	8.6
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C#N

DOS

IR

Vibrations