Geometry & MOs

Info

ID:	285361
PubChem CID:	104102601
Reduced:	FSN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	320.02337
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	6.51
IP(EA), eV:	-9.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methyl-5-nitrophenyl)sulfonyloxazinane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCCCO2)[N+](=O)[O-])F

DOS

IR

Vibrations