Geometry & MOs

Info

ID:	327024
PubChem CID:	126688881
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	462.112167
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	3.83
IP(EA), eV:	-8.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1)NCCCC2=CC=CC=C2

DOS

IR

Vibrations