Geometry & MOs

Info

ID:

431633

PubChem CID:

135171729

Reduced:

SF3O4N5C25H34 (1)

Stoich.:

AB3C4D5E25F34 (1)

Weight, g/mol:

543.21271

ΔHf, kcal/mol:

-293.14

Dipole, Da:

6.28

IP(EA), eV:

 -8.98(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-[(1-methoxycarbonylpiperidin-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)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations