Geometry & MOs

Info

ID:	179684
PubChem CID:	76519213
Reduced:	NSNa2O6H11C20 (1)
Stoich.:	ABC2D6E11F20 (1)
Weight, g/mol:	576.282209
ΔH_f, kcal/mol:	-244.55
Dipole, Da:	18.06
IP(EA), eV:	-9.43(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-amino-N-(4-methoxynaphthalen-2-yl)-2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]hexanimidate

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(C3C4=C(C=CC3=N2)C=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])C(=O)C=C1.[Na+].[Na+]

DOS

IR

Vibrations