Geometry & MOs

Info

ID:

434703

PubChem CID:

135175529

Reduced:

SN3F5O6C37H42 (1)

Stoich.:

AB3C5D6E37F42 (1)

Weight, g/mol:

312.150764

ΔHf, kcal/mol:

-485.63

Dipole, Da:

6.56

IP(EA), eV:

 -9.16(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-1-[6-[(2S)-1-[[(1S)-1-sulfanylethyl]amino]propan-2-yl]oxypyridin-3-yl]oxybutan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C(=C)C(F)(F)F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations