Geometry & MOs

Info

ID:	121156
PubChem CID:	50757574
Reduced:	ClSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	420.07107
ΔH_f, kcal/mol:	-88.87
Dipole, Da:	2.65
IP(EA), eV:	-9.2(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-fluoroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCCC4)Cl

DOS

IR

Vibrations