Geometry & MOs

Info

ID:	86575
PubChem CID:	49887218
Reduced:	SN2O2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	648.98228
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	7.52
IP(EA), eV:	-8.92(-1.66)
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-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=O

DOS

IR

Vibrations