Geometry & MOs

Info

ID:

412399

PubChem CID:

135085290

Reduced:

SN3O5C30H35 (1)

Stoich.:

AB3C5D30E35 (1)

Weight, g/mol:

603.313078

ΔHf, kcal/mol:

-103.47

Dipole, Da:

5.79

IP(EA), eV:

 -8.57(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)quinolin-4-yl]methyl] N-(2,6-diethoxyphenyl)carbamothioate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)OC(=S)NC5=C(C=C(C=C5OC)OC)OC

DOS

IR

Vibrations