Geometry & MOs

Info

ID:	433151
PubChem CID:	135173288
Reduced:	SN2F3O5C22H25 (1)
Stoich.:	AB2C3D5E22F25 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-303.88
Dipole, Da:	7.45
IP(EA), eV:	-9.25(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-[[(1S,3R)-3-(sulfanylamino)cyclopentyl]methoxy]pyran-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)S(=O)(=O)CC(F)(F)F

DOS

IR

Vibrations