Geometry & MOs

Info

ID:	80416
PubChem CID:	49834347
Reduced:	FCl2N2O3H25C28 (1)
Stoich.:	AB2C2D3E25F28 (1)
Weight, g/mol:	465.09139
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	5.08
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OCCCCCl)C(=O)OC5=CC=C(C=C5)F

DOS

IR

Vibrations