Geometry & MOs

Info

ID:

175816

PubChem CID:

75951777

Reduced:

ClF3N4O5C25H32 (1)

Stoich.:

AB3C4D5E25F32 (1)

Weight, g/mol:

798.232203

ΔHf, kcal/mol:

-372.18

Dipole, Da:

7.97

IP(EA), eV:

 -9.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[4-cyano-1-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]-6-fluorophenoxy]butanoic acid

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)NC2=CC(=C(C=C2)C(F)(F)F)Cl)C(CCC(=O)N3CCC4(CC4)C(C3)O)CO

DOS

IR

Vibrations