Geometry & MOs

Info

ID:	86571
PubChem CID:	49887209
Reduced:	ClSN2O4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	429.103479
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	3.16
IP(EA), eV:	-9.8(-1.9)
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] 3-methylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations