Geometry & MOs

Info

ID:	207157
PubChem CID:	80354616
Reduced:	ClSN2O2C10H13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	6.13
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethylsulfanyl]quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCSC1=NC(=CC(=C1)C(=O)O)Cl

DOS

IR

Vibrations