Geometry & MOs

Info

ID:

180878

PubChem CID:

76698672

Reduced:

O5C39H42 (1)

Stoich.:

A5B39C42 (1)

Weight, g/mol:

604.095672

ΔHf, kcal/mol:

-158.48

Dipole, Da:

4.76

IP(EA), eV:

 -8.94(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[3-hydroxy-5-[2-hydroxy-4-(trifluoromethyl)benzoyl]oxyphenyl]ethenyl]phenyl] 2-hydroxy-4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC(=CC(=C2)O)C=CC3=CC=C(C=C3)OC(=O)C(C)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations