Geometry & MOs

Info

ID:	397786
PubChem CID:	135030729
Reduced:	ClNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	398.137239
ΔH_f, kcal/mol:	-23.59
Dipole, Da:	2.97
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-4-[[(2S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

Drug info:

PubChemData

Smile

C1[C@H](N=C(OC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations