Geometry & MOs

Info

ID:	290750
PubChem CID:	109989340
Reduced:	F2O2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-141.75
Dipole, Da:	3.09
IP(EA), eV:	-10.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-hydroxy-1-phenylethyl]-2-[methyl(thiolan-3-yl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)NC(C)C(C2=CC(=C(C=C2)F)F)O)C

DOS

IR

Vibrations