Geometry & MOs

Info

ID:	404781
PubChem CID:	135070897
Reduced:	NO4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753004
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-2-amino-3-hydroxy-4-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]([C@H](C(=O)[O-])N)O

DOS

IR

Vibrations