Geometry & MOs

Info

ID:	228693
PubChem CID:	87565556
Reduced:	NSC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	492.107959
ΔH_f, kcal/mol:	60.41
Dipole, Da:	2.58
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S,5S)-4-[2-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2.NSSN

DOS

IR

Vibrations