Geometry & MOs

Info

ID:

317819

PubChem CID:

126646158

Reduced:

ClNSO4F5H27C28 (1)

Stoich.:

ABCD4E5F27G28 (1)

Weight, g/mol:

442.15222

ΔHf, kcal/mol:

-354.91

Dipole, Da:

2.94

IP(EA), eV:

 -9.25(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,3aR,6S,6aR)-3-[2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

CC(CN(CCCOC1=CC(=C(C(=C1)S(=O)(=O)C)C=O)F)CC2=C(C(=CC=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations