Geometry & MOs

Info

ID:

431661

PubChem CID:

135171757

Reduced:

SF3O3N4C27H31 (1)

Stoich.:

AB3C3D4E27F31 (1)

Weight, g/mol:

557.22836

ΔHf, kcal/mol:

-201.7

Dipole, Da:

6.0

IP(EA), eV:

 -8.4(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations