Geometry & MOs

Info

ID:	31400
PubChem CID:	855671
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	5.82
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations