Geometry & MOs

Info

ID:	362997
PubChem CID:	127310018
Reduced:	SF3O3N4C15H17 (1)
Stoich.:	AB3C3D4E15F17 (1)
Weight, g/mol:	389.156241
ΔH_f, kcal/mol:	-259.61
Dipole, Da:	10.6
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)NC3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations