Geometry & MOs

Info

ID:	86564
PubChem CID:	49887127
Reduced:	ClSN2O2H19C24 (1)
Stoich.:	ABC2D2E19F24 (1)
Weight, g/mol:	492.99834
ΔH_f, kcal/mol:	3.64
Dipole, Da:	4.56
IP(EA), eV:	-8.43(-0.86)
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-bromobenzoate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations