Geometry & MOs

Info

ID:

432662

PubChem CID:

135172798

Reduced:

SN3O3C18H21 (1)

Stoich.:

AB3C3D18E21 (1)

Weight, g/mol:

634.275353

ΔHf, kcal/mol:

-32.17

Dipole, Da:

3.93

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-ethyl-2-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-4-[3-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NO)N1CCNC2=C(S1)C=CC(=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations