Geometry & MOs

Info

ID:	87039
PubChem CID:	49890833
Reduced:	BrFNSO4H13C18 (1)
Stoich.:	ABCDE4F13G18 (1)
Weight, g/mol:	544.94638
ΔH_f, kcal/mol:	-133.0
Dipole, Da:	3.86
IP(EA), eV:	-9.32(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodophenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations