Geometry & MOs

Info

ID:	326362
PubChem CID:	126687392
Reduced:	COH4S5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	389.196649
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	4.08
IP(EA), eV:	-9.38(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-benzyl-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CSSS(=S)(=S)O

DOS

IR

Vibrations