Geometry & MOs

Info

ID:

441722

PubChem CID:

135241969

Reduced:

SN2F5O6H33C37 (1)

Stoich.:

AB2C5D6E33F37 (1)

Weight, g/mol:

435.181901

ΔHf, kcal/mol:

-363.34

Dipole, Da:

4.7

IP(EA), eV:

 -9.47(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[4-[2-amino-6-(3-fluoro-2-methoxyphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)OCC4=CC=CC=C4)C(=O)C5CN(C5)S(=O)(=O)C6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations