Geometry & MOs

Info

ID:	282857
PubChem CID:	103942464
Reduced:	NS2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	323.014682
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-nitro-5-(7H-purin-6-ylsulfanyl)thiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)SC2CCCCC2)[N+](=O)[O-])O

DOS

IR

Vibrations