Geometry & MOs

Info

ID:	433536
PubChem CID:	135173675
Reduced:	OSN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	279.0707
ΔH_f, kcal/mol:	47.73
Dipole, Da:	2.42
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-difluoro-1,3-dihydroisoindol-2-yl)methyl]-5-hydroxypyran-4-one

Drug info:

PubChemData

Smile

CC1=C(N=CS1)CN=O

DOS

IR

Vibrations