Geometry & MOs

Info

ID:	163109
PubChem CID:	57641459
Reduced:	NSO9C13H19 (1)
Stoich.:	ABC9D13E19 (1)
Weight, g/mol:	187.06647
ΔH_f, kcal/mol:	-277.11
Dipole, Da:	5.44
IP(EA), eV:	-9.37(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H](C2C(O1)[C@@H](CO2)O)COSC3COC4C3OC[C@H]4O[N+](=O)[O-]

DOS

IR

Vibrations