Geometry & MOs

Info

ID:

298372

PubChem CID:

117648712

Reduced:

S2N6O7C23H24 (1)

Stoich.:

A2B6C7D23E24 (1)

Weight, g/mol:

595.271859

ΔHf, kcal/mol:

-148.69

Dipole, Da:

7.97

IP(EA), eV:

 -9.15(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-3-fluoro-6-[(5-fluoro-6-morpholin-4-ylpyridin-3-yl)amino]pyridin-2-yl]amino]-1-(4-methoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=CC=CC(=C1)N=NC2=C(C(=CC(=C2N)S(=O)(=O)O)N=NC3=CC=CC=C3C(=O)OC)N

DOS

IR

Vibrations