Geometry & MOs

Info

ID:

298351

PubChem CID:

117648533

Reduced:

S2O4H28C29 (1)

Stoich.:

A2B4C28D29 (1)

Weight, g/mol:

613.282424

ΔHf, kcal/mol:

-61.69

Dipole, Da:

1.53

IP(EA), eV:

 -8.45(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-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

CC(=C)C(=O)SCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCSC(=O)C=C

DOS

IR

Vibrations