Geometry & MOs

Info

ID:	223707
PubChem CID:	85335451
Reduced:	FN2O5H25C29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	502.144154
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	4.54
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-cyanoethyl)-N-cyclobutylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1(CCC1C(=O)NO)C2=CC(=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)F

DOS

IR

Vibrations