Geometry & MOs

Info

ID:	147018
PubChem CID:	53777072
Reduced:	SN2C6O6H12 (1)
Stoich.:	AB2C6D6E12 (1)
Weight, g/mol:	288.027929
ΔH_f, kcal/mol:	-196.72
Dipole, Da:	2.44
IP(EA), eV:	-10.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NO)S(=O)(=O)CC(=O)NO

DOS

IR

Vibrations