Geometry & MOs

Info

ID:	147692
PubChem CID:	53787349
Reduced:	SO5C24H38 (1)
Stoich.:	AB5C24D38 (1)
Weight, g/mol:	500.256274
ΔH_f, kcal/mol:	-264.22
Dipole, Da:	3.38
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-(4-butoxyfluoren-9-ylidene)ethoxy]phenyl]-2-ethoxypropanoate

Drug info:

PubChemData

Smile

CC(CC[C@H]1C(CC(C1CCCCCCC(=O)OC)O)O)(CSC2=CC=CC=C2)O

DOS

IR

Vibrations