Geometry & MOs

Info

ID:	88134
PubChem CID:	49901815
Reduced:	NSCl3O5H12C22 (1)
Stoich.:	ABC3D5E12F22 (1)
Weight, g/mol:	572.021178
ΔH_f, kcal/mol:	-131.45
Dipole, Da:	6.78
IP(EA), eV:	-9.47(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/SC2=O)Cl)Cl

DOS

IR

Vibrations