Geometry & MOs

Info

ID:	230025
PubChem CID:	87569889
Reduced:	FNO3C6H10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	489.162845
ΔH_f, kcal/mol:	-182.53
Dipole, Da:	4.56
IP(EA), eV:	-10.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

Drug info:

PubChemData

Smile

C/C(=C(/CO)\F)/CNC(=O)O

DOS

IR

Vibrations