Geometry & MOs

Info

ID:	43511
PubChem CID:	10321406
Reduced:	NO5C26H41 (1)
Stoich.:	AB5C26D41 (1)
Weight, g/mol:	447.266797
ΔH_f, kcal/mol:	-212.57
Dipole, Da:	4.77
IP(EA), eV:	-9.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[4-[(3-ethyl-1-hydroxypentan-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCC1C(O1)C/C=C\C=C\C(CC(=O)NC2=CC(OC2=O)(C)CC)O

DOS

IR

Vibrations