Geometry & MOs

Info

ID:

311155

PubChem CID:

126589650

Reduced:

NS2O3C32H37 (1)

Stoich.:

AB2C3D32E37 (1)

Weight, g/mol:

588.081892

ΔHf, kcal/mol:

-46.72

Dipole, Da:

4.13

IP(EA), eV:

 -8.25(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[2-chloro-5-(2-fluoro-5-methoxyphenyl)-4-(1,1,1-trifluoropropan-2-yl)thiophen-3-yl]methoxy]phenyl]-3-cyclopropylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCC=C1C2=C(SC=C2COC3=CC=CC(=C3)C(CC(=O)O)SC4CC4)C5=CC(=CC=C5)N(C)C)C

DOS

IR

Vibrations