Geometry & MOs

Info

ID:	267034
PubChem CID:	103580498
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	9.42
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-nitro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations