Geometry & MOs

Info

ID:	10107
PubChem CID:	97450
Reduced:	ClFNSO4H13C18 (1)
Stoich.:	ABCDE4F13G18 (1)
Weight, g/mol:	393.023785
ΔH_f, kcal/mol:	-153.7
Dipole, Da:	6.09
IP(EA), eV:	-10.01(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)C3=CC=C(C=C3)S(=O)(=O)F

DOS

IR

Vibrations