Geometry & MOs

Info

ID:

426056

PubChem CID:

135135692

Reduced:

SF3O5N6H23C25 (1)

Stoich.:

AB3C5D6E23F25 (1)

Weight, g/mol:

536.184189

ΔHf, kcal/mol:

-197.11

Dipole, Da:

3.2

IP(EA), eV:

 -9.51(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[[(2-ethoxyphenyl)sulfonyl-methylamino]methyl]phenyl]-5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(N=N1)[C@@H]2C[C@H]2C3=C(C=NN3C4=CC=CC(=C4)CN(C)S(=O)(=O)C5=CC=CC=C5OC(F)(F)F)C(=O)O

DOS

IR

Vibrations