Geometry & MOs

Info

ID:

298022

PubChem CID:

117646997

Reduced:

FN4C23H23 (1)

Stoich.:

AB4C23D23 (1)

Weight, g/mol:

551.276864

ΔHf, kcal/mol:

49.54

Dipole, Da:

5.76

IP(EA), eV:

 -8.62(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-6-[[6-ethoxy-5-(triazol-1-yl)pyridin-3-yl]amino]-3-fluoropyridin-2-yl]amino]-1-cyclobutylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CNC(CN1CC2=CC3=NC(=CC(=C3C=C2)C4=CC=C(C=C4)F)C#N)C

DOS

IR

Vibrations