Geometry & MOs

Info

ID:	189385
PubChem CID:	77849029
Reduced:	ClFSN2O3C15H20 (1)
Stoich.:	ABCD2E3F15G20 (1)
Weight, g/mol:	373.186238
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	6.28
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C2C1CS(=O)(=O)C2)CC3=CC(=C(C(=C3)Cl)OC)F

DOS

IR

Vibrations