Geometry & MOs

Info

ID:	187809
PubChem CID:	77627608
Reduced:	SN2O6C27H40 (1)
Stoich.:	AB2C6D27E40 (1)
Weight, g/mol:	379.196802
ΔH_f, kcal/mol:	-234.74
Dipole, Da:	6.19
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(cyclohexylamino)-2-hydrazinylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C=CS(=O)(=O)N)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

DOS

IR

Vibrations