Geometry & MOs

Info

ID:	86609
PubChem CID:	49887577
Reduced:	ClSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	526.95937
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	4.55
IP(EA), eV:	-8.39(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(O1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations