Geometry & MOs

Info

ID:	54858
PubChem CID:	17389417
Reduced:	BrFN2O2H20C24 (1)
Stoich.:	ABC2D2E20F24 (1)
Weight, g/mol:	572.95655
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	2.6
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-iodobenzoate

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)Br)/C=C\C3=CC=CC=C3F

DOS

IR

Vibrations