Geometry & MOs

Info

ID:	301994
PubChem CID:	123108219
Reduced:	NSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	7.12
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfinyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations