Geometry & MOs

Info

ID:

431723

PubChem CID:

135171819

Reduced:

SF3O3N5C27H32 (1)

Stoich.:

AB3C3D5E27F32 (1)

Weight, g/mol:

527.217796

ΔHf, kcal/mol:

-207.67

Dipole, Da:

6.25

IP(EA), eV:

 -9.17(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-[(1-acetylpiperidin-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(C1CCN(CC1)CCO)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations