Geometry & MOs

Info

ID:	45827
PubChem CID:	10517942
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	8.95
IP(EA), eV:	-9.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5R,8aR,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)C1=NC2=C(C=CC3=C2N=CC=C3)C=C1

DOS

IR

Vibrations