Geometry & MOs

Info

ID:	62673
PubChem CID:	26732704
Reduced:	NF2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	363.108228
ΔH_f, kcal/mol:	-195.67
Dipole, Da:	4.93
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC=CO2

DOS

IR

Vibrations