Geometry & MOs

Info

ID:

431634

PubChem CID:

135171730

Reduced:

SF3O4N5C24H32 (1)

Stoich.:

AB3C4D5E24F32 (1)

Weight, g/mol:

456.180682

ΔHf, kcal/mol:

-288.25

Dipole, Da:

12.42

IP(EA), eV:

 -9.16(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations