Geometry & MOs

Info

ID:	404822
PubChem CID:	135071258
Reduced:	N2O5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-191.68
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753069
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]([C@H](C(=O)[O-])N)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations