Geometry & MOs

Info

ID:	216568
PubChem CID:	85086436
Reduced:	NSO2H3C5 (2)
Stoich.:	ABC2D3E5 (2)
Weight, g/mol:	282.077324
ΔH_f, kcal/mol:	57.42
Dipole, Da:	0.03
IP(EA), eV:	-9.85(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate

Drug info:

PubChemData

Smile

C1=C(SC(=C1)[N+](=O)[O-])C=CC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations