Geometry & MOs

Info

ID:	437910
PubChem CID:	135227304
Reduced:	SF6H6C7 (1)
Stoich.:	AB6C6D7 (1)
Weight, g/mol:	542.15413
ΔH_f, kcal/mol:	-276.17
Dipole, Da:	6.68
IP(EA), eV:	-10.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,6-difluoro-4-phenylmethoxyphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-8-propan-2-ylpurine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(F)(F)(F)(F)F

DOS

IR

Vibrations