Geometry & MOs

Info

ID:	383493
PubChem CID:	134975240
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	312.193674
ΔH_f, kcal/mol:	-203.93
Dipole, Da:	3.34
IP(EA), eV:	-9.77(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-6-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyl-6-oxohex-2-enyl] acetate

Drug info:

PubChemData

Smile

CC/C=C\CC[C@@H]([C@H](CC[C@@H]([C@H](CCC=C)O)O)O)O

DOS

IR

Vibrations