Geometry & MOs

Info

ID:

323224

PubChem CID:

126673713

Reduced:

IO5H19C28 (1)

Stoich.:

AB5C19D28 (1)

Weight, g/mol:

439.111439

ΔHf, kcal/mol:

-81.97

Dipole, Da:

3.01

IP(EA), eV:

 -8.35(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-7-oxa-2,3-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-10-yl]oxy]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2C3=C(C=CC4=C3C=CC(=C4)O)OC5=C2C6=C(C=C5)C=C(C=C6)O)I)O

DOS

IR

Vibrations