Geometry & MOs

Info

ID:	443109
PubChem CID:	135257723
Reduced:	OSN4F5H27C30 (1)
Stoich.:	ABC4D5E27F30 (1)
Weight, g/mol:	318.985703
ΔH_f, kcal/mol:	-155.78
Dipole, Da:	1.95
IP(EA), eV:	-9.09(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfanylazetidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC4=C(C=C3)N=CN4)C(=O)[C@H]5CCN5SC6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations