Geometry & MOs

Info

ID:

15960

PubChem CID:

456536

Reduced:

ClSO5N7C20H22 (1)

Stoich.:

ABC5D7E20F22 (1)

Weight, g/mol:

507.109166

ΔHf, kcal/mol:

-127.87

Dipole, Da:

5.92

IP(EA), eV:

 -9.31(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-3-[[2-amino-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSCC(C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)O)N)Cl

DOS

IR

Vibrations