Geometry & MOs

Info

ID:

298030

PubChem CID:

117647313

Reduced:

FO5N9C28H40 (1)

Stoich.:

AB5C9D28E40 (1)

Weight, g/mol:

476.234745

ΔHf, kcal/mol:

-184.11

Dipole, Da:

5.15

IP(EA), eV:

 -8.5(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-3-fluoro-6-[(5-fluoro-6-methylpyridin-3-yl)amino]pyridin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OCCOC)N3N=CC=N3)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations