Geometry & MOs

Info

ID:	192758
PubChem CID:	78308789
Reduced:	BrSN2O5C24H27 (1)
Stoich.:	ABC2D5E24F27 (1)
Weight, g/mol:	514.134462
ΔH_f, kcal/mol:	-166.56
Dipole, Da:	1.47
IP(EA), eV:	-9.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(6-oxo-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1C2CC3C(CC2NC(=O)C1CN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br)OCO3

DOS

IR

Vibrations