Geometry & MOs

Info

ID:	308931
PubChem CID:	126531887
Reduced:	ClFON3H19C23 (1)
Stoich.:	ABCD3E19F23 (1)
Weight, g/mol:	509.143009
ΔH_f, kcal/mol:	7.73
Dipole, Da:	3.3
IP(EA), eV:	-8.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[3-chloro-7-fluoro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C2=C(C=CN=C2)OC)F)NC3=C(C=NC4=CC=CC=C43)Cl

DOS

IR

Vibrations