Geometry & MOs

Info

ID:

328227

PubChem CID:

126700115

Reduced:

SO4N7C23H23 (1)

Stoich.:

AB4C7D23E23 (1)

Weight, g/mol:

582.168539

ΔHf, kcal/mol:

19.06

Dipole, Da:

4.3

IP(EA), eV:

 -8.59(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-hydroxypyrrolidin-1-yl)-[4-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=NC4=C(O3)C=C(C=C4OCC5=C(SC(=N5)N6CCOCC6)C)OC

DOS

IR

Vibrations