Geometry & MOs

Info

ID:	404761
PubChem CID:	135070601
Reduced:	FS2O5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	424.081444
ΔH_f, kcal/mol:	-205.55
Dipole, Da:	4.09
IP(EA), eV:	-9.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis(benzenesulfonyl)-fluoromethyl]cycloheptan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)C)C(F)(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations