Geometry & MOs

Info

ID:	190391
PubChem CID:	77995956
Reduced:	FSN4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	657.311518
ΔH_f, kcal/mol:	16.37
Dipole, Da:	3.36
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(1-propan-2-ylpyrrolidin-3-yl)benzoyl]amino]quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCSCC1=CN(N=N1)C2=CC=C(C=C2)CC(CF)N

DOS

IR

Vibrations