Geometry & MOs

Info

ID:	49177
PubChem CID:	11528791
Reduced:	N2C7O7H12 (1)
Stoich.:	A2B7C7D12 (1)
Weight, g/mol:	236.108942
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	3.66
IP(EA), eV:	-10.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C(O1)COCOCCC([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations