Geometry & MOs

Info

ID:

441308

PubChem CID:

135234080

Reduced:

SO3N4C15H18 (2)

Stoich.:

AB3C4D15E18 (2)

Weight, g/mol:

376.193297

ΔHf, kcal/mol:

-70.32

Dipole, Da:

11.82

IP(EA), eV:

 -9.43(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[2-(4-ethoxypyridin-2-yl)acetyl]amino]methyl (1Z,3S)-3-methyl-N-(methylideneamino)cyclohexane-1-carboximidothioate

Drug info:

PubChemData

Smile

CC=N/C(=C\COC1COC1)/CC(=O)NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(=O)CC5=NC=CC(=C5)OC6COC6

DOS

IR

Vibrations