Geometry & MOs

Info

ID:	242639
PubChem CID:	97857668
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	317.142722
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	5.71
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-hydroxy-N-[(2R,4R)-4-hydroxy-2-phenylpentyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations