Geometry & MOs

Info

ID:

229757

PubChem CID:

87568827

Reduced:

PSN2F5O6C21H24 (1)

Stoich.:

ABC2D5E6F21G24 (1)

Weight, g/mol:

500.092119

ΔHf, kcal/mol:

-523.99

Dipole, Da:

1.97

IP(EA), eV:

 -9.3(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[1-[[6-[(6-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]-1-benzofuran-3-yl]methyl]piperidin-4-yl]amino]-2-oxoethyl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations