Geometry & MOs

Info

ID:

432481

PubChem CID:

135172614

Reduced:

FO4C22H28 (2)

Stoich.:

AB4C22D28 (2)

Weight, g/mol:

648.291003

ΔHf, kcal/mol:

-429.76

Dipole, Da:

2.4

IP(EA), eV:

 -9.14(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2=C(C=C(C=C2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)F)F

DOS

IR

Vibrations