Geometry & MOs

Info

ID:	311340
PubChem CID:	126590550
Reduced:	FN3C10H20 (1)
Stoich.:	AB3C10D20 (1)
Weight, g/mol:	518.213655
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	4.41
IP(EA), eV:	-9.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-5-[3-[1-(2-fluoroethoxymethyl)triazol-4-yl]propanoylamino]pentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(CC)F)CN=[N+]=[N-]

DOS

IR

Vibrations