Geometry & MOs

Info

ID:	427279
PubChem CID:	135156640
Reduced:	SF3N6O7C37H43 (1)
Stoich.:	AB3C6D7E37F43 (1)
Weight, g/mol:	278.070285
ΔH_f, kcal/mol:	-328.01
Dipole, Da:	7.73
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3,7a-dihydroisoindole-1,7-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCOCCOC2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)N(N6CC[C@H](C6)F)S(=O)O)F)N=C3

DOS

IR

Vibrations