Geometry & MOs

Info

ID:	201778
PubChem CID:	79581357
Reduced:	FNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	357.0762
ΔH_f, kcal/mol:	-65.66
Dipole, Da:	2.84
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3-bromophenyl)sulfanylethyl]-1-(ethylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

C1CC(C(C1)N)CCS(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations