Geometry & MOs

Info

ID:	192751
PubChem CID:	78307900
Reduced:	FSO2N3C24H36 (1)
Stoich.:	ABC2D3E24F36 (1)
Weight, g/mol:	547.282841
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	3.38
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6,7-dimethoxy-2-oxo-4aH-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea

Drug info:

PubChemData

Smile

CCOCCCNC(=S)N(CC1CC2CCC(CC2NC1=O)C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations