Geometry & MOs

Info

ID:

432470

PubChem CID:

135172603

Reduced:

O10C37H46 (1)

Stoich.:

A10B37C46 (1)

Weight, g/mol:

644.332474

ΔHf, kcal/mol:

-355.09

Dipole, Da:

0.92

IP(EA), eV:

 -8.76(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O

DOS

IR

Vibrations