Geometry & MOs

Info

ID:

298038

PubChem CID:

117647331

Reduced:

FO4N9C26H36 (1)

Stoich.:

AB4C9D26E36 (1)

Weight, g/mol:

513.249981

ΔHf, kcal/mol:

-147.44

Dipole, Da:

6.33

IP(EA), eV:

 -8.68(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4R)-4-[[5-carbamoyl-6-[(1,3-dimethylindazol-5-yl)amino]-3-fluoropyridin-2-yl]amino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OCC)N3C=CN=N3)C(=O)N)F

DOS

IR

Vibrations