Geometry & MOs

Info

ID:	402692
PubChem CID:	135056906
Reduced:	OSC12H12 (1)
Stoich.:	ABC12D12 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	6.12
Dipole, Da:	1.31
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR,9aS,9bS)-5a-methyl-3,9,9a,9b-tetrahydro-2H-[1,3]oxazolo[3,2-b]isoindole-5,8-dione

Drug info:

PubChemData

Smile

CC1=COC(=C1)CSC2=CC=CC=C2

DOS

IR

Vibrations