Geometry & MOs

Info

ID:	80583
PubChem CID:	49835288
Reduced:	OS2N3C15H29 (1)
Stoich.:	AB2C3D15E29 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	1.56
IP(EA), eV:	-8.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-6-tert-butyl-5-methoxyquinolin-8-yl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)CCCC[C@@H]2CCSS2

DOS

IR

Vibrations