Geometry & MOs

Info

ID:	308172
PubChem CID:	125317219
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	1.35
Dipole, Da:	3.09
IP(EA), eV:	-9.6(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)[C@H](N=N2)C3=CC=CC=C3

DOS

IR

Vibrations