Geometry & MOs

Info

ID:	154586
PubChem CID:	56314052
Reduced:	SF2N2O3C21H26 (1)
Stoich.:	AB2C2D3E21F26 (1)
Weight, g/mol:	374.200571
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	5.84
IP(EA), eV:	-9.55(-1.06)
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-(2-fluorophenyl)-2-methylpropyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC(C)(C)C2=CC=CC=C2F)F

DOS

IR

Vibrations