Geometry & MOs

Info

ID:	85220
PubChem CID:	49872561
Reduced:	NO2F5H28C29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	315.071918
ΔH_f, kcal/mol:	-295.83
Dipole, Da:	8.07
IP(EA), eV:	-9.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)C(C2=CC=C(C=C2)F)N3CCCCC3)C4=CC(=C(C=C4)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations