Geometry & MOs

Info

ID:

139191

PubChem CID:

52488950

Reduced:

FSN2O2C17H26 (1)

Stoich.:

ABC2D2E17F26 (1)

Weight, g/mol:

378.070799

ΔHf, kcal/mol:

-73.56

Dipole, Da:

8.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772100

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-(4-ethoxyphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

CC[NH+]1CCC(CC1)N(C2CC2)S(=O)(=O)C3=C(C=CC(=C3)C)F

DOS

IR

Vibrations