Geometry & MOs

Info

ID:	80362
PubChem CID:	49834169
Reduced:	ClSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	10.07
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-(2-ethyl-3-oxo-1H-isoindol-5-yl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations