Geometry & MOs

Info

ID:	214593
PubChem CID:	85083250
Reduced:	N3O9H21C29 (1)
Stoich.:	A3B9C21D29 (1)
Weight, g/mol:	555.115894
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	8.04
IP(EA), eV:	-9.49(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-nitroimidazol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)[N+](=O)[O-])OC(=O)C6=CC=CC=C6OC(=O)C

DOS

IR

Vibrations