Geometry & MOs

Info

ID:	86624
PubChem CID:	49887728
Reduced:	ClN2S2O7H15C23 (1)
Stoich.:	AB2C2D7E15F23 (1)
Weight, g/mol:	523.085636
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	3.05
IP(EA), eV:	-9.4(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations