Geometry & MOs

Info

ID:

298273

PubChem CID:

117648202

Reduced:

O2F3N6C26H27 (1)

Stoich.:

A2B3C6D26E27 (1)

Weight, g/mol:

519.250649

ΔHf, kcal/mol:

-147.17

Dipole, Da:

5.84

IP(EA), eV:

 -8.83(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-2-[[5-cyano-6-[(1-ethylindazol-5-yl)amino]-3-fluoropyridin-2-yl]amino]-3-pyrazol-1-ylpropyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@H](C3=CC(=CC=C3)F)[C@H](C)NC(=O)OC(C)(C)C)F

DOS

IR

Vibrations