Geometry & MOs

Info

ID:	229446
PubChem CID:	87567680
Reduced:	FSO3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	467.12634
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	4.38
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperidin-4-yl]amino]ethyl] formate

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN=NN4CC(=O)O)/C3)S

DOS

IR

Vibrations