Geometry & MOs

Info

ID:	231779
PubChem CID:	87574646
Reduced:	NSO5F6H15C16 (1)
Stoich.:	ABC5D6E15F16 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-489.18
Dipole, Da:	7.55
IP(EA), eV:	-9.52(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,4-dimethyl-6-(4-methylphenyl)-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1OS(=O)(=O)C(F)(F)F)C(CCN2C(=O)C(F)(F)F)(C)C

DOS

IR

Vibrations