Geometry & MOs

Info

ID:	80680
PubChem CID:	49835866
Reduced:	FSN3O5C24H28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	-159.61
Dipole, Da:	7.49
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-4-(4-methylphenyl)sulfanyl-2-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO

DOS

IR

Vibrations