Geometry & MOs

Info

ID:	229230
PubChem CID:	87567224
Reduced:	BrNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	12.09
IP(EA), eV:	-7.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethynylquinolin-6-yl)oxy-N-(1-methoxy-2-methylbut-3-yn-2-yl)-2-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCC[N+]1(CCC(=O)CC1)CCCC.[Br-]

DOS

IR

Vibrations