Geometry & MOs

Info

ID:	86989
PubChem CID:	49890373
Reduced:	BrNSO3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	394.968892
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	5.72
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=O)S2)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations