Geometry & MOs

Info

ID:	135918
PubChem CID:	51957043
Reduced:	N2S2O6C19H21 (1)
Stoich.:	A2B2C6D19E21 (1)
Weight, g/mol:	409.089189
ΔH_f, kcal/mol:	-167.81
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.153272
Charge, e:	-1

Chem-info

IUPAC name:

[1-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-5-yl]-methylsulfonylazanide

Drug info:

PubChemData

Smile

CS(=O)(=O)[N-]C1=C2CCCN(C2=CC=C1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations