Geometry & MOs

Info

ID:	433145
PubChem CID:	135173282
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	469.111262
ΔH_f, kcal/mol:	-136.78
Dipole, Da:	8.79
IP(EA), eV:	-9.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@H](C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations