Geometry & MOs

Info

ID:

173916

PubChem CID:

75697446

Reduced:

SO2N3H12C13 (1)

Stoich.:

AB2C3D12E13 (1)

Weight, g/mol:

495.233148

ΔHf, kcal/mol:

34.16

Dipole, Da:

3.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958294

Charge, e:

 1

Chem-info

IUPAC name:

N-(cyclopentylcarbamoyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=NN=C(C=C2)[O-])C3=CSC=C3

DOS

IR

Vibrations