Geometry & MOs

Info

ID:	322094
PubChem CID:	126668567
Reduced:	SN3O4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	582.07472
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	5.58
IP(EA), eV:	-8.61(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CN=C4N(C3=O)C=CS4

DOS

IR

Vibrations