Geometry & MOs

Info

ID:	31397
PubChem CID:	855665
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	3.07
IP(EA), eV:	-8.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=CC(=C2N=C1SCC(=O)N3CCOCC3)C)C

DOS

IR

Vibrations