Geometry & MOs

Info

ID:	443135
PubChem CID:	135257814
Reduced:	SN3F5O6H26C29 (1)
Stoich.:	AB3C5D6E26F29 (1)
Weight, g/mol:	339.174691
ΔH_f, kcal/mol:	-384.96
Dipole, Da:	6.84
IP(EA), eV:	-9.81(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-cyclohexylpyridin-2-yl)methylamino]-6-fluoro-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations