Geometry & MOs

Info

ID:

298080

PubChem CID:

117647459

Reduced:

FON10C23H29 (1)

Stoich.:

ABC10D23E29 (1)

Weight, g/mol:

441.203699

ΔHf, kcal/mol:

43.54

Dipole, Da:

7.59

IP(EA), eV:

 -8.14(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(2S,5S)-2-amino-5-hydroxycyclohexyl]amino]-5-fluoro-2-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@@H](CN)CN4C=CC=N4)C(=N1)N(C)C

DOS

IR

Vibrations