Geometry & MOs

Info

ID:	381842
PubChem CID:	134972688
Reduced:	SnN2O9C29H46 (1)
Stoich.:	AB2C9D29E46 (1)
Weight, g/mol:	378.204239
ΔH_f, kcal/mol:	-411.42
Dipole, Da:	5.65
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2R,3S)-1,2-dihydroxy-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)/C=C/C1=CN(C(=O)NC1=O)[C@H]2C(C([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations