Geometry & MOs

Info

ID:	161541
PubChem CID:	57391945
Reduced:	NPC5O5H12 (1)
Stoich.:	ABC5D5E12 (1)
Weight, g/mol:	225.07661
ΔH_f, kcal/mol:	-281.29
Dipole, Da:	6.52
IP(EA), eV:	-9.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)OP(=O)([C@H](C)N)O

DOS

IR

Vibrations