Geometry & MOs

Info

ID:

184456

PubChem CID:

77162277

Reduced:

FSCl2O4N5H28C34 (1)

Stoich.:

ABC2D4E5F28G34 (1)

Weight, g/mol:

579.124023

ΔHf, kcal/mol:

-60.06

Dipole, Da:

7.33

IP(EA), eV:

 -9.39(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,3-c]pyridin-3-yl] N-(1-pyridin-2-ylethyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(C=C3)F)C4=C(C2)C(=NN4C5=C(C=C(C=C5)Cl)Cl)OC(=O)NC(C)C6=CC=CC=N6

DOS

IR

Vibrations