Geometry & MOs

Info

ID:	326719
PubChem CID:	126688081
Reduced:	OC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	474.132154
ΔH_f, kcal/mol:	23.61
Dipole, Da:	2.95
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C/C=C\CCOC1=CC2=CC=CC=C2C=C1O/C=C/C=C

DOS

IR

Vibrations