Geometry & MOs

Info

ID:	84964
PubChem CID:	49870969
Reduced:	OC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-170.45
Dipole, Da:	7.03
IP(EA), eV:	-9.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,4R,5S,6R)-5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] hept-6-enoate

Drug info:

PubChemData

Smile

CC1(CCC[C@@]2([C@@H]1CO)COC(=O)[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)C

DOS

IR

Vibrations