Geometry & MOs

Info

ID:	135919
PubChem CID:	51957044
Reduced:	N2S2O5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	456.98914
ΔH_f, kcal/mol:	-142.05
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.152000
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C(C=CC=C32)[N-]S(=O)(=O)C

DOS

IR

Vibrations