Geometry & MOs

Info

ID:	192738
PubChem CID:	78307339
Reduced:	SN3O5C27H31 (1)
Stoich.:	AB3C5D27E31 (1)
Weight, g/mol:	455.10704
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	5.2
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-cyclopentyl-1-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=S)N(CC2CC3CC4C(CC3NC2=O)OCO4)CC5=CC=CC=C5

DOS

IR

Vibrations