Geometry & MOs

Info

ID:	228679
PubChem CID:	87565529
Reduced:	O2H10C11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R,4S,5S,6S)-5-(6-chloro-2-methylsulfanylpurin-9-yl)-3,3-dimethyltricyclo[4.1.0.02,4]heptane-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC2=CC=CC=C2C1(C=O)O

DOS

IR

Vibrations