Geometry & MOs

Info

ID:	144057
PubChem CID:	53305511
Reduced:	O3C14H18 (2)
Stoich.:	A3B14C18 (2)
Weight, g/mol:	556.303618
ΔH_f, kcal/mol:	-219.87
Dipole, Da:	3.54
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R,6S)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-yl] 2-(methoxymethoxy)-6-prop-2-enylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](CC=C)[C@@H](C[C@H](CCOCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC=C2O)CC=C)O

DOS

IR

Vibrations