Geometry & MOs

Info

ID:	185136
PubChem CID:	77260660
Reduced:	N3O5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	445.119523
ΔH_f, kcal/mol:	-44.62
Dipole, Da:	2.54
IP(EA), eV:	-10.2(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-(5-phenylpyridin-3-yl)oxythian-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(C2=CC(=CC=C2)[N+](=O)[O-])C(C(=O)O)N)C#N

DOS

IR

Vibrations