Geometry & MOs

Info

ID:	1825
PubChem CID:	5134
Reduced:	SO5N6C15H23 (1)
Stoich.:	AB5C6D15E23 (1)
Weight, g/mol:	400.152889
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754190
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methyl-lambda4-sulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CS(CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations