Geometry & MOs

Info

ID:	268984
PubChem CID:	103603907
Reduced:	OSBr3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	3.63
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(1,2-oxazol-5-ylmethyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CSCCOC1=C(C=C(C=C1Br)Br)Br

DOS

IR

Vibrations