Geometry & MOs

Info

ID:	139579
PubChem CID:	52561453
Reduced:	NS2F3O3H12C13 (1)
Stoich.:	AB2C3D3E12F13 (1)
Weight, g/mol:	344.091867
ΔH_f, kcal/mol:	-222.46
Dipole, Da:	6.93
IP(EA), eV:	-9.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC(F)(F)F)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations