Geometry & MOs

Info

ID:	176620
PubChem CID:	76075208
Reduced:	S2O7N8C23H30 (1)
Stoich.:	A2B7C8D23E30 (1)
Weight, g/mol:	379.056441
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	30.73
IP(EA), eV:	-6.23(-3.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dichlorothiophen-3-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

Drug info:

PubChemData

Smile

CCOC(CS(=O)(=O)NC(CS(=O)(=O)N)OCC)C1=C(C=CC(=C1)N[N+]#N)C=CC(=O)C2=CC=C(C=C2)N[N+]#N

DOS

IR

Vibrations