Geometry & MOs

Info

ID:	13976
PubChem CID:	401237
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-150.92
Dipole, Da:	1.91
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2'R,3R,3'S,5'S)-1'-methyl-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2',3'-dicarboxylate

Drug info:

PubChemData

Smile

CN1[C@H]([C@H]([C@]2([C@@H]1C3=CC=CC=C3)C4=CC=CC=C4NC2=O)C(=O)OC)C(=O)OC

DOS

IR

Vibrations