Geometry & MOs

Info

ID:	84553
PubChem CID:	49867823
Reduced:	Cl2O2N5H19C26 (1)
Stoich.:	A2B2C5D19E26 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	65.98
Dipole, Da:	6.67
IP(EA), eV:	-9.4(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-(7H-purin-6-ylamino)hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)N[C@@H](CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations