Geometry & MOs

Info

ID:	300205
PubChem CID:	121269851
Reduced:	SF4O5H12C14 (1)
Stoich.:	AB4C5D12E14 (1)
Weight, g/mol:	432.020319
ΔH_f, kcal/mol:	-363.32
Dipole, Da:	6.14
IP(EA), eV:	-10.26(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-4-(1H-indazol-4-yloxy)-7-(trifluoromethylsulfonyl)-3H-inden-1-one

Drug info:

PubChemData

Smile

C1COCCC1OC2=C(C3=C(C=C2)S(=O)(=O)C(C3=O)(F)F)C(F)F

DOS

IR

Vibrations