Geometry & MOs

Info

ID:	36665
PubChem CID:	8010514
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	3.18
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)SC2=NNC(=N2)N

DOS

IR

Vibrations