Geometry & MOs

Info

ID:	86982
PubChem CID:	49890322
Reduced:	BrSN2O4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	496.99326
ΔH_f, kcal/mol:	-119.06
Dipole, Da:	1.36
IP(EA), eV:	-9.57(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)/C=C\2/C(=O)NC(=O)S2)OCC(=O)N

DOS

IR

Vibrations