Geometry & MOs

Info

ID:	303496
PubChem CID:	124489819
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	221.967097
ΔH_f, kcal/mol:	-139.56
Dipole, Da:	6.64
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-5-chloro-1,2,3,4,5,6-hexafluorocyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations