Geometry & MOs

Info

ID:	38441
PubChem CID:	8064006
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	2.53
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,N-diethyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC=CC=C2)C3CCCCC3

DOS

IR

Vibrations