Geometry & MOs

Info

ID:	282793
PubChem CID:	103939344
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	287.084081
ΔH_f, kcal/mol:	30.01
Dipole, Da:	7.42
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(7H-purin-6-ylsulfanyl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC2=NN=CN2C)O

DOS

IR

Vibrations