Geometry & MOs

Info

ID:

432631

PubChem CID:

135172767

Reduced:

FN5O8C43H72 (1)

Stoich.:

AB5C8D43E72 (1)

Weight, g/mol:

492.175973

ΔHf, kcal/mol:

-475.43

Dipole, Da:

4.49

IP(EA), eV:

 -9.1(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2F)C(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations