Geometry & MOs

Info

ID:	125214
PubChem CID:	50915290
Reduced:	SO2N4H16C22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	419.01908
ΔH_f, kcal/mol:	62.21
Dipole, Da:	8.52
IP(EA), eV:	-8.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(oxan-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=C(C(=O)NC3=C2C=C(C=C3)C4=CNN=C4)C5=CC=CS5

DOS

IR

Vibrations