Geometry & MOs

Info

ID:	308173
PubChem CID:	125317220
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	2.75
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2H-indol-3-yl)ethyl]-2-[4-(trifluoromethylsulfanyl)phenoxy]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=C2C=CC=CC2=NC1)OC3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations