Geometry & MOs

Info

ID:	318280
PubChem CID:	126650253
Reduced:	ClFN3O4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	539.043754
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	0.9
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)OCC3CCOCC3)F)OCC4=NNC(=O)N4C

DOS

IR

Vibrations