Geometry & MOs

Info

ID:	406613
PubChem CID:	135078167
Reduced:	NSiS2F6O9C24H37 (1)
Stoich.:	ABC2D6E9F24G37 (1)
Weight, g/mol:	434.132965
ΔH_f, kcal/mol:	-597.55
Dipole, Da:	5.55
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,3a,4,7a-tetrahydrofuro[3,4-c]pyran-1-one

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H]1CC=C([C@]2([C@H]1[C@@](C(=CC2)OS(=O)(=O)C(F)(F)F)(C)CC(=O)N(C)OC)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations