Geometry & MOs

Info

ID:

432066

PubChem CID:

135172198

Reduced:

O4N5C24H33 (1)

Stoich.:

A4B5C24D33 (1)

Weight, g/mol:

542.228695

ΔHf, kcal/mol:

-129.46

Dipole, Da:

8.97

IP(EA), eV:

 -8.99(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(N=C3)C(=O)N

DOS

IR

Vibrations