Geometry & MOs

Info

ID:	189546
PubChem CID:	77870769
Reduced:	S2Cl3N6O8C25H31 (1)
Stoich.:	A2B3C6D8E25F31 (1)
Weight, g/mol:	302.082205
ΔH_f, kcal/mol:	-257.18
Dipole, Da:	13.45
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NN=NN1SCC2(CN3C(C(C3=O)(NC(=O)C(C4=C(CC=CC4)O)C(=O)OCC(Cl)(Cl)Cl)OC)SC2)C(=O)O

DOS

IR

Vibrations