Geometry & MOs

Info

ID:	159880
PubChem CID:	57288849
Reduced:	ClN2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	2.15
IP(EA), eV:	-9.36(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[3-(azetidin-1-yl)phenyl]-4-hydroxy-3-oxobutan-2-yl]-5-chloro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C2(C=CC=N2)C3=NC=C(C=C3)C(=O)Cl

DOS

IR

Vibrations