Geometry & MOs

Info

ID:	159251
PubChem CID:	57269322
Reduced:	N4O10C19H34 (1)
Stoich.:	A4B10C19D34 (1)
Weight, g/mol:	414.16383
ΔH_f, kcal/mol:	-478.15
Dipole, Da:	14.2
IP(EA), eV:	-10.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N)NCC(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C

DOS

IR

Vibrations