Geometry & MOs

Info

ID:

431730

PubChem CID:

135171833

Reduced:

SN3O4C26H41 (1)

Stoich.:

AB3C4D26E41 (1)

Weight, g/mol:

573.25966

ΔHf, kcal/mol:

-194.67

Dipole, Da:

4.87

IP(EA), eV:

 -8.51(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-[[1-(1-hydroxy-3-methoxypropyl)piperidin-4-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC(=S)NC(=O)COC

DOS

IR

Vibrations