Geometry & MOs

Info

ID:	166544
PubChem CID:	74706453
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	509.222252
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	14.49
IP(EA), eV:	-8.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[[(8-methyl-2-oxo-3H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCC1=C(C=CN(C1=O)CCC2=C[NH2+]C=N2)[O-]

DOS

IR

Vibrations