Geometry & MOs

Info

ID:	280524
PubChem CID:	103849750
Reduced:	ClNO4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	302.098808
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	4.12
IP(EA), eV:	-9.77(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-tert-butylsulfonylethoxy)-4-fluorophenyl]ethanone

Drug info:

PubChemData

Smile

CC(C(C)OC1=C(C=CC=C1Cl)[N+](=O)[O-])O

DOS

IR

Vibrations