Geometry & MOs

Info

ID:	382936
PubChem CID:	134974379
Reduced:	O4C17H21 (2)
Stoich.:	A4B17C21 (2)
Weight, g/mol:	564.308704
ΔH_f, kcal/mol:	-266.68
Dipole, Da:	6.89
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S,5R,8S,9R)-8-(methoxymethoxy)-9-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)dec-6-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]([C@H](/C=C/[C@H]([C@H](CCC(=O)O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCOC)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations