Geometry & MOs

Info

ID:	87629
PubChem CID:	49896022
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	596.02668
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	3.67
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-iodo-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C

DOS

IR

Vibrations