Geometry & MOs

Info

ID:	242868
PubChem CID:	99213505
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations