Geometry & MOs

Info

ID:

328165

PubChem CID:

126692839

Reduced:

OSF3N6C25H27 (1)

Stoich.:

ABC3D6E25F27 (1)

Weight, g/mol:

488.197001

ΔHf, kcal/mol:

-98.46

Dipole, Da:

6.9

IP(EA), eV:

 -8.07(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3aS,4R)-2-(3-methyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-8-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CCC1[C@H]([C@H]2C1CN(C2)C(=S)/C=C(/C)\N)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations