Geometry & MOs

Info

ID:	192749
PubChem CID:	78307898
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	9.44
IP(EA), eV:	-8.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxypropyl)-1-[(7-methyl-2-oxo-3H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCOCCCNC(=S)N(CC1C=C2C=CC(=CC2=NC1=O)C)C3CCCC3

DOS

IR

Vibrations