Geometry & MOs

Info

ID:

442920

PubChem CID:

135256887

Reduced:

SO2N9H23C28 (1)

Stoich.:

AB2C9D23E28 (1)

Weight, g/mol:

536.149141

ΔHf, kcal/mol:

121.0

Dipole, Da:

4.51

IP(EA), eV:

 -9.08(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NC(C)C3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=NSC(=C5)C#N

DOS

IR

Vibrations