Geometry & MOs

Info

ID:

298355

PubChem CID:

117648571

Reduced:

SO2H11C14 (2)

Stoich.:

AB2C11D14 (2)

Weight, g/mol:

540.22966

ΔHf, kcal/mol:

-0.3

Dipole, Da:

1.31

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-6-[(2,6-dimethoxypyridin-4-yl)amino]-3-fluoropyridin-2-yl]amino]-1-(2-fluorophenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C=CC(=O)S/C=C\OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)O/C=C\SC(=O)C=C

DOS

IR

Vibrations