Geometry & MOs

Info

ID:	5791
PubChem CID:	13792
Reduced:	SO5N6C14H20 (1)
Stoich.:	AB5C6D14E20 (1)
Weight, g/mol:	384.121589
ΔH_f, kcal/mol:	-157.04
Dipole, Da:	5.08
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(C(=O)O)N)O)O)N

DOS

IR

Vibrations