Geometry & MOs

Info

ID:	429761
PubChem CID:	135169813
Reduced:	SO2F3N7H16C23 (1)
Stoich.:	AB2C3D7E16F23 (1)
Weight, g/mol:	456.13824
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	2.38
IP(EA), eV:	-8.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)C1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations