Geometry & MOs

Info

ID:	391119
PubChem CID:	135002925
Reduced:	N2O2F3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	-167.92
Dipole, Da:	3.31
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3'S)-3'-(4-methylphenyl)-2-oxospiro[1H-indole-3,2'-5,6,7,8-tetrahydro-3H-pyrrolizine]-1',1'-dicarbonitrile

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@H](NC2=CC=CC=C2N=C1C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations