Geometry & MOs

Info

ID:	411355
PubChem CID:	135084178
Reduced:	ClSN2O4C7H7 (1)
Stoich.:	ABC2D4E7F7 (1)
Weight, g/mol:	258.05375
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	2.91
IP(EA), eV:	-10.1(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-(trifluoromethylsulfonyl)ethanone

Drug info:

PubChemData

Smile

CN(S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations