Geometry & MOs

Info

ID:	404821
PubChem CID:	135071257
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	281.113747
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	1.41
IP(EA), eV:	-9.33(1.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H]([C@H](N1)CO)O)O

DOS

IR

Vibrations