Geometry & MOs

Info

ID:	142353
PubChem CID:	53020169
Reduced:	FO4N5H12C18 (1)
Stoich.:	AB4C5D12E18 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	3.75
IP(EA), eV:	-8.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)N4C=NC5=C(C4=N3)C=CC(=C5)F

DOS

IR

Vibrations