Geometry & MOs

Info

ID:	322108
PubChem CID:	126668670
Reduced:	ClSO4F8H11C22 (1)
Stoich.:	ABC4D8E11F22 (1)
Weight, g/mol:	557.993883
ΔH_f, kcal/mol:	-474.61
Dipole, Da:	7.42
IP(EA), eV:	-9.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonate

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)Cl)C=CC(=C2)S(=O)(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations