Geometry & MOs

Info

ID:	194649
PubChem CID:	78567892
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-218.14
Dipole, Da:	4.71
IP(EA), eV:	-8.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(4-cyanophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

DOS

IR

Vibrations