Geometry & MOs

Info

ID:	192042
PubChem CID:	78219300
Reduced:	ClSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	526.213758
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	9.77
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(=CC2C=C1)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations