Geometry & MOs

Info

ID:	296687
PubChem CID:	117588621
Reduced:	SO2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	482.097884
ΔH_f, kcal/mol:	12.59
Dipole, Da:	7.61
IP(EA), eV:	-8.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4,4-dimethyl-8-(piperidine-1-carbothioyl)dithiolo[3,4-c]quinoline-1-thione

Drug info:

PubChemData

Smile

CC1(C=C(C2=C3N1C(=O)C(=O)C3=CC=C2)CSC4=NC=CC=N4)C

DOS

IR

Vibrations