Geometry & MOs

Info

ID:	130968
PubChem CID:	51136345
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	296.125988
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	7.21
IP(EA), eV:	-9.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2-[(E,3S,4R)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)/C(=C/C=C/C)/C

DOS

IR

Vibrations