Geometry & MOs

Info

ID:

136673

PubChem CID:

52083495

Reduced:

FOSCl2N5H14C17 (1)

Stoich.:

ABCD2E5F14G17 (1)

Weight, g/mol:

425.028015

ΔHf, kcal/mol:

44.42

Dipole, Da:

8.27

IP(EA), eV:

 -9.12(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R)-3-(2,2-dichloroethenyl)-N-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2,2-dimethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)NC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)F)C=C(Cl)Cl)C

DOS

IR

Vibrations