Geometry & MOs

Info

ID:	228513
PubChem CID:	87565119
Reduced:	S2O4N6C17H22 (1)
Stoich.:	A2B4C6D17E22 (1)
Weight, g/mol:	554.03301
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	3.27
IP(EA), eV:	-9.0(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]-N-methylformamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(=S)NC1=NN=C(C=C1)C2=CC(=CN=C2)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations