Geometry & MOs

Info

ID:	290483
PubChem CID:	104629633
Reduced:	INO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.106336
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	1.81
IP(EA), eV:	-9.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-hydroxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CCO)CNC(=O)C1=CC(=C(C=C1)I)O

DOS

IR

Vibrations