Geometry & MOs

Info

ID:	87921
PubChem CID:	49898628
Reduced:	SN2O2H14C20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	506.130028
ΔH_f, kcal/mol:	2.03
Dipole, Da:	7.65
IP(EA), eV:	-8.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxy-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=CC=N4)/SC3=O

DOS

IR

Vibrations