Geometry & MOs

Info

ID:	308922
PubChem CID:	126531871
Reduced:	ClOF2N5H20C25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	523.149654
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	5.56
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]phenyl]cyclobutyl]methanesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C#N)F)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(N=C4)C(C)(C)O)F)Cl

DOS

IR

Vibrations