Geometry & MOs

Info

ID:	326249
PubChem CID:	126687233
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	369.210407
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	4.02
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3)O)C4=NC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations