Geometry & MOs

Info

ID:	433574
PubChem CID:	135173714
Reduced:	SN2F3O4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	462.122498
ΔH_f, kcal/mol:	-229.2
Dipole, Da:	3.64
IP(EA), eV:	-8.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(methylsulfinimidoyl)phenyl]methoxy]-2-[[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methyl]pyran-4-one

Drug info:

PubChemData

Smile

CS(=O)N1CCC(C=C1)COC2=COC(=CC2=O)CN3CC4=C(C3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations