Geometry & MOs

Info

ID:	144332
PubChem CID:	53351381
Reduced:	ClON3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	374.005227
ΔH_f, kcal/mol:	0.13
Dipole, Da:	2.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

[3-(3,3-dichloroprop-2-enyl)-2,8-dimethylquinolin-4-yl] carbamimidothioate;chloride

Drug info:

PubChemData

Smile

C1=CN=CC=C1NC(=O)CCCCCN.[Cl-]

DOS

IR

Vibrations