Geometry & MOs

Info

ID:	187914
PubChem CID:	77642754
Reduced:	ClSF2N2O3H17C21 (1)
Stoich.:	ABC2D2E3F17G21 (1)
Weight, g/mol:	276.077342
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	8.2
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethylidene-2-fluoro-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)N)NC(C2=C(C=CC=C2F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations