Geometry & MOs

Info

ID:	192757
PubChem CID:	78308738
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	534.08241
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	2.94
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=CC(C(=O)N=C2C=C1)CN(CCCO)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations