Geometry & MOs

Info

ID:

168330

PubChem CID:

74952700

Reduced:

SF5O8C36H39 (1)

Stoich.:

AB5C8D36E39 (1)

Weight, g/mol:

574.129754

ΔHf, kcal/mol:

-545.15

Dipole, Da:

5.21

IP(EA), eV:

 -9.32(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-1-enyl]thiophen-3-yl]-5-methoxyphenoxy]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC=CC=CC(C(CCCC(C(F)(F)F)(F)F)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

DOS

IR

Vibrations