Geometry & MOs

Info

ID:	369161
PubChem CID:	127331454
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	5.08
IP(EA), eV:	-9.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-methylpyrimidin-4-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations