Geometry & MOs

Info

ID:	121163
PubChem CID:	50757668
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	430.11627
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.04
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-fluoro-4-(3-fluoro-4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)C2=C(C=NC3=CC=CC=C32)C(=O)N4CCCC4)C

DOS

IR

Vibrations