Geometry & MOs

Info

ID:	326341
PubChem CID:	126687363
Reduced:	FN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	1.46
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methylsulfanyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(CN1C[C@H]([C@H](C1)CO)CCCC2=CC=C(C=C2)F)C3=NC=C(C=C3)O

DOS

IR

Vibrations