Geometry & MOs

Info

ID:

442010

PubChem CID:

135247803

Reduced:

N2O6C33H40 (1)

Stoich.:

A2B6C33D40 (1)

Weight, g/mol:

648.347375

ΔHf, kcal/mol:

-214.67

Dipole, Da:

7.02

IP(EA), eV:

 -9.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(6-fluorohexyl)-3-[2-(6-fluorohexyl)-5-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)CCOC(=O)C(=C)CO)CCOC(=O)C(C)CO

DOS

IR

Vibrations