Geometry & MOs

Info

ID:	86594
PubChem CID:	49887495
Reduced:	ClSN3O8H14C24 (1)
Stoich.:	ABC3D8E14F24 (1)
Weight, g/mol:	463.064507
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	2.47
IP(EA), eV:	-9.68(-2.53)
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]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations