Geometry & MOs

Info

ID:	235234
PubChem CID:	92304260
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	4.86
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations