Geometry & MOs

Info

ID:	192945
PubChem CID:	78326419
Reduced:	ClSN3O4C23H34 (1)
Stoich.:	ABC3D4E23F34 (1)
Weight, g/mol:	497.211505
ΔH_f, kcal/mol:	-179.63
Dipole, Da:	7.63
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)-methylsulfamoyl]-N-heptyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1CNC2CCC(CC2C1=O)S(=O)(=O)N(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations