Geometry & MOs

Info

ID:	444447
PubChem CID:	135262462
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	281.027728
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	1.91
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-5-ethylsulfanylquinoline-6-carboxylate

Drug info:

PubChemData

Smile

CCSC1=C(C=CC2=C1C=CN=C2)C(=O)O

DOS

IR

Vibrations