Geometry & MOs

Info

ID:	50078
PubChem CID:	12012579
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	334.062343
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	6.48
IP(EA), eV:	-9.86(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(benzenesulfonyl)ethoxy]-1-(3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCOC(=O)CCO/N=C/C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations