Geometry & MOs

Info

ID:	176791
PubChem CID:	76100721
Reduced:	O2N8C28H33 (1)
Stoich.:	A2B8C28D33 (1)
Weight, g/mol:	225.030708
ΔH_f, kcal/mol:	52.83
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844924
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-nitrososulfanyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCC1=NC2=[N+](C(=O)N(C(=O)C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CCC)CC

DOS

IR

Vibrations