Geometry & MOs

Info

ID:	324291
PubChem CID:	126677348
Reduced:	OF3N5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	515.209007
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	0.9
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4R)-4-[4-(methanesulfonamido)phenyl]-3-[(3-oxo-1,2-dihydroisoindol-5-yl)oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations