Geometry & MOs

Info

ID:	86592
PubChem CID:	49887480
Reduced:	NSCl2O2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	652.93275
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	3.08
IP(EA), eV:	-9.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=O)Cl

DOS

IR

Vibrations