Geometry & MOs

Info

ID:	326704
PubChem CID:	126688047
Reduced:	ClNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	460.116504
ΔH_f, kcal/mol:	20.34
Dipole, Da:	4.13
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R,5S)-3-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-4,5-dihydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)C2=CC=CC(=C2C=N)CCl

DOS

IR

Vibrations