Geometry & MOs

Info

ID:

80282

PubChem CID:

49833833

Reduced:

Cl2N2O5C32H32 (1)

Stoich.:

A2B2C5D32E32 (1)

Weight, g/mol:

494.072801

ΔHf, kcal/mol:

-158.33

Dipole, Da:

4.78

IP(EA), eV:

 -8.72(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[1-[[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(C)COC2=CC=C(C=C2)[C@H]3C4=C(CCN3C(=O)OC5=CC=C(C=C5)Cl)C6=C(N4)C=CC(=C6)Cl)C

DOS

IR

Vibrations