Geometry & MOs

Info

ID:

432486

PubChem CID:

135172619

Reduced:

FO8C45H59 (1)

Stoich.:

AB8C45D59 (1)

Weight, g/mol:

666.244053

ΔHf, kcal/mol:

-396.0

Dipole, Da:

2.6

IP(EA), eV:

 -9.09(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations