Geometry & MOs

Info

ID:

125440

PubChem CID:

50924271

Reduced:

FON5C22H24 (1)

Stoich.:

ABC5D22E24 (1)

Weight, g/mol:

556.193354

ΔHf, kcal/mol:

-11.51

Dipole, Da:

3.87

IP(EA), eV:

 -8.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[1-hydroxy-2-methyl-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=NC(=C2C1=O)NC3CC3)C4=CC(=C(C=C4)C5CCNCC5)F

DOS

IR

Vibrations