Geometry & MOs

Info

ID:

432192

PubChem CID:

135172324

Reduced:

S2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

472.219844

ΔHf, kcal/mol:

-156.97

Dipole, Da:

3.97

IP(EA), eV:

 -8.94(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-2-N-methyl-3-(2-methylpropanimidoyl)-4-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

DOS

IR

Vibrations