Geometry & MOs

Info

ID:	192717
PubChem CID:	78303609
Reduced:	SO2N4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	263.053548
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	4.82
IP(EA), eV:	-9.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorobut-2-enyl)-2-methyl-3H-quinoline-4-thione

Drug info:

PubChemData

Smile

CCCCCCCCSC1=NC2C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

DOS

IR

Vibrations