Geometry & MOs

Info

ID:

230509

PubChem CID:

87571157

Reduced:

O9C72H118 (1)

Stoich.:

A9B72C118 (1)

Weight, g/mol:

571.144693

ΔHf, kcal/mol:

-505.78

Dipole, Da:

4.8

IP(EA), eV:

 -9.19(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(1-methylpiperidin-4-yl)oxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations