Geometry & MOs

Info

ID:	133487
PubChem CID:	51534276
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-125.93
Dipole, Da:	3.03
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N-(3-chlorophenyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations