Geometry & MOs

Info

ID:	171268
PubChem CID:	75350940
Reduced:	NSO5H29C32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	364.088164
ΔH_f, kcal/mol:	-103.21
Dipole, Da:	2.86
IP(EA), eV:	-8.63(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=C(C=C3)C)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations