Geometry & MOs

Info

ID:	326287
PubChem CID:	126687280
Reduced:	FON8C19H25 (1)
Stoich.:	ABC8D19E25 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-5.46
Dipole, Da:	6.06
IP(EA), eV:	-8.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[(3aS,6aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(C1)(CNC2=C(CN=C(N2)C3=CNC4=C3C=CC=N4)F)N

DOS

IR

Vibrations