Geometry & MOs

Info

ID:	398964
PubChem CID:	135036639
Reduced:	SN2O3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	2.9
IP(EA), eV:	-9.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,7aS)-5-acetyl-2-ethyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CCS)\[O-])/[N+]#N

DOS

IR

Vibrations