Geometry & MOs

Info

ID:

298047

PubChem CID:

117647380

Reduced:

FSN5O5C25H36 (1)

Stoich.:

ABC5D5E25F36 (1)

Weight, g/mol:

552.297265

ΔHf, kcal/mol:

-245.45

Dipole, Da:

6.09

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-3-fluoro-6-[(6-methyl-5-pyrazol-1-ylpyridin-3-yl)amino]pyridin-2-yl]amino]-1-[(1S)-2,2-dimethylcyclopropyl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations