Geometry & MOs

Info

ID:	133117
PubChem CID:	51479203
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	493.200156
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	5.9
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations