Geometry & MOs

Info

ID:	198772
PubChem CID:	79148425
Reduced:	FSN2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	24.99
Dipole, Da:	3.59
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-fluorophenyl)sulfanylcyclopentan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CSC3=C(C=CC(=C3)F)N)N=CC=C2

DOS

IR

Vibrations