Geometry & MOs

Info

ID:	368320
PubChem CID:	127327913
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	2.43
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CNC(=O)C2=CSC(=N2)C3CC3)O

DOS

IR

Vibrations