Geometry & MOs

Info

ID:	375675
PubChem CID:	134220751
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	453.97535
ΔH_f, kcal/mol:	-214.36
Dipole, Da:	4.29
IP(EA), eV:	-9.58(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(2-methylpropanoyl)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCC(C)(CCC(=O)C)OCCC(C)(C)OCCC=O

DOS

IR

Vibrations