Geometry & MOs

Info

ID:	229807
PubChem CID:	87569128
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	452.115441
ΔH_f, kcal/mol:	-1.31
Dipole, Da:	8.6
IP(EA), eV:	-8.34(-0.89)
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)-1-benzofuran-3-yl]methyl]pyrrolidin-3-yl]amino]ethyl] formate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)/C=C/C(=O)NO)/C(=O)NC3CC3

DOS

IR

Vibrations