Geometry & MOs

Info

ID:	82585
PubChem CID:	49856212
Reduced:	CaNaH5C6O8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	549.20459
ΔH_f, kcal/mol:	-477.03
Dipole, Da:	7.41
IP(EA), eV:	-9.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(C(=O)[O-])[C@]([C@@H](C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Ca+2]

DOS

IR

Vibrations