Geometry & MOs

Info

ID:

80096

PubChem CID:

49832911

Reduced:

ClS2F3O3N6C27H30 (1)

Stoich.:

AB2C3D3E6F27G30 (1)

Weight, g/mol:

466.043729

ΔHf, kcal/mol:

-191.89

Dipole, Da:

7.81

IP(EA), eV:

 -8.73(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)[C@@H]1CCN(C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)CNC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC=C(S5)Cl

DOS

IR

Vibrations