Geometry & MOs

Info

ID:

442899

PubChem CID:

135256795

Reduced:

FON8C29H29 (1)

Stoich.:

ABC8D29E29 (1)

Weight, g/mol:

523.133906

ΔHf, kcal/mol:

79.91

Dipole, Da:

6.82

IP(EA), eV:

 -8.52(-1.33)

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]-3-fluoro-N-[(6-phenylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NC(C)/C(=C/C=C(/C4=CC=CC=C4)\N=C)/C)F

DOS

IR

Vibrations