Geometry & MOs

Info

ID:

236382

PubChem CID:

92712618

Reduced:

O4N7C22H27 (1)

Stoich.:

A4B7C22D27 (1)

Weight, g/mol:

500.16306

ΔHf, kcal/mol:

-77.59

Dipole, Da:

4.45

IP(EA), eV:

 -8.37(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-5-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-2-pyridin-3-yl-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@@H]2N(N=C(O2)CN3C=NC4=C3N(C(=O)N(C4=O)C)C)C(=O)C

DOS

IR

Vibrations