Geometry & MOs

Info

ID:	1427
PubChem CID:	4406
Reduced:	SO4N5C27H31 (1)
Stoich.:	AB4C5D27E31 (1)
Weight, g/mol:	521.209676
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	7.4
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations