Geometry & MOs

Info

ID:	326288
PubChem CID:	126687282
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[(4-fluorophenyl)methyl]-2-[2-(5-hydroxypyridin-2-yl)propyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(CN2C[C@H]3CC(C[C@H]3C2)(CC4=CC=CC=C4)O)CO

DOS

IR

Vibrations