Geometry & MOs

Info

ID:	26867
PubChem CID:	800519
Reduced:	ClSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	253.055049
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	4.61
IP(EA), eV:	-8.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations