Geometry & MOs

Info

ID:	242569
PubChem CID:	97857405
Reduced:	FN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	320.117235
ΔH_f, kcal/mol:	-168.73
Dipole, Da:	4.31
IP(EA), eV:	-9.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC=C(C=C1)F)O)NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations