Geometry & MOs

Info

ID:	435706
PubChem CID:	135192211
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	426.138897
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	1.84
IP(EA), eV:	-7.82(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-propyl-6-[(2,3,5,6-tetrafluoro-4-methylphenyl)methylsulfanylamino]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCCN1C(CC(C2=C1C=CC(=C2)N)C)O

DOS

IR

Vibrations