Geometry & MOs

Info

ID:

85824

PubChem CID:

49879590

Reduced:

ClSO2N5C19H25 (1)

Stoich.:

ABC2D5E19F25 (1)

Weight, g/mol:

321.998392

ΔHf, kcal/mol:

1.82

Dipole, Da:

3.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888503

Charge, e:

 -1

Chem-info

IUPAC name:

2-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCN(CC3)C)SC.[Cl-]

DOS

IR

Vibrations