Geometry & MOs

Info

ID:	338366
PubChem CID:	127259058
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	323.046358
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	3.7
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-nitronaphthalen-2-yl)sulfonylethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(N(N=C1C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations