Geometry & MOs

Info

ID:

445918

PubChem CID:

135269931

Reduced:

ON8C24H30 (1)

Stoich.:

AB8C24D30 (1)

Weight, g/mol:

501.186832

ΔHf, kcal/mol:

98.61

Dipole, Da:

2.47

IP(EA), eV:

 -8.01(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1,6-dimethyl-5-[3-methyl-5-(3-methylthiophen-2-yl)-2H-1,3,4-oxadiazol-2-yl]-2H-pyrazin-3-yl]phenyl]sulfonyl-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)C3=NC(=C(N(C3)C)N)C4N(N=C(O4)C5=CC=CC=C5)C

DOS

IR

Vibrations