Geometry & MOs

Info

ID:	381689
PubChem CID:	134972490
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	406.14501
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	6.56
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-6-oxo-1,2-bis(phenylmethoxy)hexan-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCC(C1C2=C(C=CN1C(=O)OCC)C(=CC=C2)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations