Geometry & MOs

Info

ID:	140240
PubChem CID:	52669062
Reduced:	ClFSN2O2C17H18 (1)
Stoich.:	ABCD2E2F17G18 (1)
Weight, g/mol:	449.120941
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	6.4
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2,6-dimethylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCC3)F)Cl

DOS

IR

Vibrations