Geometry & MOs

Info

ID:	28473
PubChem CID:	827798
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	3.32
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations