Geometry & MOs

Info

ID:	89820
PubChem CID:	49964839
Reduced:	N4O4C15H17 (1)
Stoich.:	A4B4C15D17 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	55.27
Dipole, Da:	20.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859654
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations