Geometry & MOs

Info

ID:	142215
PubChem CID:	53001448
Reduced:	ClSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	15.6
Dipole, Da:	2.26
IP(EA), eV:	-8.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C)CC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations