Geometry & MOs

Info

ID:

432431

PubChem CID:

135172564

Reduced:

FO8C42H53 (1)

Stoich.:

AB8C42D53 (1)

Weight, g/mol:

672.254617

ΔHf, kcal/mol:

-372.07

Dipole, Da:

1.6

IP(EA), eV:

 -9.04(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=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)F

DOS

IR

Vibrations