Geometry & MOs

Info

ID:	148696
PubChem CID:	53788365
Reduced:	N3O3H15C20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	514.170848
ΔH_f, kcal/mol:	14.62
Dipole, Da:	2.36
IP(EA), eV:	-9.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[3-[(2-amino-3-sulfanylpropyl)amino]-6-naphthalen-1-ylpyridin-2-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=C(C=C3)N4C=CN=C4)C#N

DOS

IR

Vibrations