Geometry & MOs

Info

ID:	80450
PubChem CID:	49834527
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-38.73
Dipole, Da:	5.88
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1=O)C=CC(=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=NN(C=C4)C

DOS

IR

Vibrations