Geometry & MOs

Info

ID:

394698

PubChem CID:

135023559

Reduced:

N3O4H13C14 (1)

Stoich.:

A3B4C13D14 (1)

Weight, g/mol:

402.188983

ΔHf, kcal/mol:

32.04

Dipole, Da:

2.51

IP(EA), eV:

 -10.27(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]methyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]

DOS

IR

Vibrations