Geometry & MOs

Info

ID:

426215

PubChem CID:

135142690

Reduced:

ON6C19H22 (1)

Stoich.:

AB6C19D22 (1)

Weight, g/mol:

446.188881

ΔHf, kcal/mol:

34.52

Dipole, Da:

4.15

IP(EA), eV:

 -8.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[[(methyl-oxo-phenyl-lambda6-sulfanylidene)amino]methyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C2C=CNC2=NC=C1N=C(CC(=O)NC34CCC(C3)(CC4)C#N)N

DOS

IR

Vibrations