Geometry & MOs

Info

ID:	144474
PubChem CID:	53375209
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	41.83
Dipole, Da:	6.21
IP(EA), eV:	-8.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)-3-methyl-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC2=NOC3=C2N=CC=C3

DOS

IR

Vibrations