Geometry & MOs

Info

ID:	326457
PubChem CID:	126687597
Reduced:	NO4C7H13 (2)
Stoich.:	AB4C7D13 (2)
Weight, g/mol:	250.116486
ΔH_f, kcal/mol:	-400.98
Dipole, Da:	3.46
IP(EA), eV:	-9.91(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1[C@@H](OC([C@H](C1O)O)CO)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations