Geometry & MOs

Info

ID:	86730
PubChem CID:	49888735
Reduced:	ClSN2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	481.06538
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	3.04
IP(EA), eV:	-9.18(-1.13)
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] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations