Geometry & MOs

Info

ID:	236297
PubChem CID:	92712277
Reduced:	ClSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	374.085577
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	8.07
IP(EA), eV:	-8.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-chloro-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)C2=CC3=C(S2)N=C4C(=C3)C=CC(=C4Cl)OC

DOS

IR

Vibrations