Geometry & MOs

Info

ID:	305106
PubChem CID:	124766530
Reduced:	N2O7C12H16 (1)
Stoich.:	A2B7C12D16 (1)
Weight, g/mol:	300.095751
ΔH_f, kcal/mol:	-201.85
Dipole, Da:	4.69
IP(EA), eV:	-8.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxy-2-nitroanilino)oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N[C@H]2[C@H]([C@H]([C@H](O2)CO)O)O)[N+](=O)[O-]

DOS

IR

Vibrations