Geometry & MOs

Info

ID:	44895
PubChem CID:	10506404
Reduced:	SO5C31H46 (1)
Stoich.:	AB5C31D46 (1)
Weight, g/mol:	530.397125
ΔH_f, kcal/mol:	-208.81
Dipole, Da:	3.64
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl (2E)-2-[5-(hydroxymethyl)-5-(phenylmethoxymethyl)oxolan-3-ylidene]acetate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)OS(=O)(=O)O)O)/C)/C)/C)/C)C

DOS

IR

Vibrations