Geometry & MOs

Info

ID:

326779

PubChem CID:

126688190

Reduced:

SO5N7C19H21 (1)

Stoich.:

AB5C7D19E21 (1)

Weight, g/mol:

548.194772

ΔHf, kcal/mol:

-76.89

Dipole, Da:

3.37

IP(EA), eV:

 -9.11(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(1-amino-3-cyclopropyl-1-pyridin-3-ylpropyl)-2-fluorophenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@]6([C@@H](C6NS(=O)(=O)N)O5)O)O

DOS

IR

Vibrations