Geometry & MOs

Info

ID:	87323
PubChem CID:	49894027
Reduced:	SN2Cl4O4H16C25 (1)
Stoich.:	AB2C4D4E16F25 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	3.69
IP(EA), eV:	-8.93(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=C(C=C(C=C4)Cl)Cl)Cl)/SC2=O

DOS

IR

Vibrations