Geometry & MOs

Info

ID:

327385

PubChem CID:

126689763

Reduced:

O2F3N4H19C26 (1)

Stoich.:

A2B3C4D19E26 (1)

Weight, g/mol:

565.221321

ΔHf, kcal/mol:

-96.88

Dipole, Da:

6.17

IP(EA), eV:

 -9.38(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations