Geometry & MOs

Info

ID:	121157
PubChem CID:	50757575
Reduced:	ClFSN2O3H18C20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	428.096141
ΔH_f, kcal/mol:	-107.06
Dipole, Da:	2.44
IP(EA), eV:	-9.7(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)sulfonylquinolin-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CN=C2C=CC(=CC2=C1S(=O)(=O)C3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations