Geometry & MOs

Info

ID:	437633
PubChem CID:	135226740
Reduced:	FO2N5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	331.085384
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	4.78
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfinate

Drug info:

PubChemData

Smile

C1CC2CC1[C@H](N2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CC5CCN(C5C4)C6COC6)F)C#N

DOS

IR

Vibrations