Geometry & MOs

Info

ID:	318255
PubChem CID:	126650110
Reduced:	NO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	598.086034
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	5.39
IP(EA), eV:	-9.79(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)O)C(=O)N1C(=O)O

DOS

IR

Vibrations