Geometry & MOs

Info

ID:	308066
PubChem CID:	125316823
Reduced:	N2O5H26C27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	391.13322
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	5.52
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3'aS,8'aS,8'bS)-2'-(2-fluorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=C5C(=NC4)C=CC=C5OC

DOS

IR

Vibrations