Geometry & MOs

Info

ID:	59617
PubChem CID:	24890472
Reduced:	S2O3N4C21H26 (1)
Stoich.:	A2B3C4D21E26 (1)
Weight, g/mol:	505.147407
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	6.3
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(6-cyanopyridin-3-yl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(CN(C2=N)C(CC3CCCCC3)C(=O)NC4=NC=CS4)C=C1

DOS

IR

Vibrations