Geometry & MOs

Info

ID:

309683

PubChem CID:

126554408

Reduced:

FO2N6H27C33 (1)

Stoich.:

AB2C6D27E33 (1)

Weight, g/mol:

578.227117

ΔHf, kcal/mol:

103.36

Dipole, Da:

4.7

IP(EA), eV:

 -8.47(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-(6-methoxypyridin-2-yl)-1,2,4-triazol-3-yl]-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=C=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C23)F

DOS

IR

Vibrations