Geometry & MOs

Info

ID:

298387

PubChem CID:

117648841

Reduced:

F2O4N7C26H37 (1)

Stoich.:

A2B4C7D26E37 (1)

Weight, g/mol:

565.261294

ΔHf, kcal/mol:

-240.47

Dipole, Da:

4.94

IP(EA), eV:

 -8.37(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-6-[(1-ethylindazol-4-yl)amino]-3-fluoropyridin-2-yl]amino]-1-(2-fluorophenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)N3CCOCC3)F)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations