Geometry & MOs

Info

ID:	444323
PubChem CID:	135262076
Reduced:	SO3N6C19H24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	3.53
IP(EA), eV:	-8.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxypropyl (E)-6-hydroxy-2-methyl-3-prop-2-enoyloxyhex-2-enoate

Drug info:

PubChemData

Smile

CN1CCN(C1=O)C2=NSN=C2N3CCN(CC3)CC4COC5=CC=CC=C5O4

DOS

IR

Vibrations