Geometry & MOs

Info

ID:	326185
PubChem CID:	126687015
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	390.116877
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	3.2
IP(EA), eV:	-8.53(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)C3=CC=CC=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations