Geometry & MOs

Info

ID:	322107
PubChem CID:	126668662
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	557.993883
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	1.76
IP(EA), eV:	-10.34(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1C2C13C(CC(C2)O)C4C3O4

DOS

IR

Vibrations