Geometry & MOs

Info

ID:	425946
PubChem CID:	135133283
Reduced:	SO3N5H23C24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	432.159769
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	12.12
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-(4-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C2=NNC(=C2)C3=CC=CC=C3C(=O)NCCC4=CC=CC=N4

DOS

IR

Vibrations