Geometry & MOs

Info

ID:	318238
PubChem CID:	126649975
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	596.053985
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	6.27
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)C3CCN(CC3)C(=O)O

DOS

IR

Vibrations