Geometry & MOs

Info

ID:	61840
PubChem CID:	26713852
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	7.59
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations