Geometry & MOs

Info

ID:	429690
PubChem CID:	135169741
Reduced:	OSF3N9H12C20 (1)
Stoich.:	ABC3D9E12F20 (1)
Weight, g/mol:	539.119668
ΔH_f, kcal/mol:	43.37
Dipole, Da:	9.11
IP(EA), eV:	-8.61(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[amino-(3-aminopyridin-4-yl)amino]-5-chloropyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=C5C(=CC=C4)SC=N5)C(F)(F)F)C#N

DOS

IR

Vibrations