Geometry & MOs

Info

ID:	232949
PubChem CID:	87577797
Reduced:	NSC24H33 (1)
Stoich.:	ABC24D33 (1)
Weight, g/mol:	362.085577
ΔH_f, kcal/mol:	2.42
Dipole, Da:	3.28
IP(EA), eV:	-8.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-chloro-2-methylquinolin-6-yl)oxy-N-(2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CCCCC(CCCCCCCS)N1C2=CC=CC=C2C3=CC=CC=C31

DOS

IR

Vibrations