Geometry & MOs

Info

ID:	399088
PubChem CID:	135037614
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	328.00587
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	2.83
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7aS)-5-bromo-2-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1C(=O)C2=CC=CO2)C3=CC=CO3

DOS

IR

Vibrations