Geometry & MOs

Info

ID:	192742
PubChem CID:	78307548
Reduced:	S2N3O4H19C22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	445.112999
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	7.2
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxypropyl)-1-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

C1OC2=CC3=CC(C(=O)N=C3C=C2O1)CN(CC4=CC=CS4)C(=S)NCC5=CC=CO5

DOS

IR

Vibrations