Geometry & MOs

Info

ID:	186239
PubChem CID:	77409018
Reduced:	O7C26H26 (1)
Stoich.:	A7B26C26 (1)
Weight, g/mol:	492.214803
ΔH_f, kcal/mol:	-225.59
Dipole, Da:	9.7
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl] 4-[6-(4-methylidene-5-oxooxolan-2-yl)hexoxy]benzoate

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCC3CC(=C)C(=O)O3

DOS

IR

Vibrations