Geometry & MOs

Info

ID:	222401
PubChem CID:	85297378
Reduced:	NSSiO6C18H37 (1)
Stoich.:	ABCD6E18F37 (1)
Weight, g/mol:	424.222289
ΔH_f, kcal/mol:	-324.76
Dipole, Da:	1.68
IP(EA), eV:	-9.54(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate

Drug info:

PubChemData

Smile

COCOC1CCC(C2(C1N(CC2)S(=O)(=O)CC[Si](C)(C)C)CO)CCO

DOS

IR

Vibrations