Geometry & MOs

Info

ID:

298073

PubChem CID:

117647446

Reduced:

FO4N7C22H30 (1)

Stoich.:

AB4C7D22E30 (1)

Weight, g/mol:

430.260486

ΔHf, kcal/mol:

-162.86

Dipole, Da:

7.18

IP(EA), eV:

 -8.5(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(2S,3R)-2-aminopentan-3-yl]amino]-2-[[3-(dimethylamino)-2-methyl-4,5-dihydroindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=CN=C(N=C3)OC)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations