Geometry & MOs

Info

ID:	86733
PubChem CID:	49888747
Reduced:	ClSN2O5H13C18 (1)
Stoich.:	ABC2D5E13F18 (1)
Weight, g/mol:	353.072179
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	5.39
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations