Geometry & MOs

Info

ID:	192048
PubChem CID:	78220363
Reduced:	SN3O5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	514.213758
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	10.18
IP(EA), eV:	-8.66(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)N(CC2C=C3C=C4C(=CC3=NC2=O)OCCO4)CC5=CC=CO5

DOS

IR

Vibrations