Geometry & MOs

Info

ID:	355802
PubChem CID:	127290654
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	376.13176
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	2.59
IP(EA), eV:	-8.9(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations