Geometry & MOs

Info

ID:

427841

PubChem CID:

135164176

Reduced:

O8C37H50 (1)

Stoich.:

A8B37C50 (1)

Weight, g/mol:

630.262896

ΔHf, kcal/mol:

-328.21

Dipole, Da:

4.59

IP(EA), eV:

 -9.21(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[2-(3-fluoro-4-pentylphenyl)ethynyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3=CC(=C(C=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations