Geometry & MOs

Info

ID:	22285
PubChem CID:	596517
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	4.77
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])SCC=C)OC

DOS

IR

Vibrations