Geometry & MOs

Info

ID:	433143
PubChem CID:	135173280
Reduced:	FNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	5.63
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-methoxypyran-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations