Geometry & MOs

Info

ID:

442912

PubChem CID:

135256864

Reduced:

FON10H25C26 (1)

Stoich.:

ABC10D25E26 (1)

Weight, g/mol:

538.178962

ΔHf, kcal/mol:

84.65

Dipole, Da:

11.13

IP(EA), eV:

 -8.86(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC(C)C2=CN=C(C=C2)N3C=C(C=N3)F)C4=NC(=CC(=N4)NC5=NNC(=C5)C)C

DOS

IR

Vibrations