Geometry & MOs

Info

ID:

125406

PubChem CID:

50923119

Reduced:

SO3N6C24H30 (1)

Stoich.:

AB3C6D24E30 (1)

Weight, g/mol:

528.162054

ΔHf, kcal/mol:

-60.92

Dipole, Da:

6.23

IP(EA), eV:

 -8.59(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=C(C=C(C=C2)C3=NC(=C4C(=C3)N=CN(C4=O)C)NC5CC5)S(=O)(=O)C

DOS

IR

Vibrations