Geometry & MOs

Info

ID:	326707
PubChem CID:	126688053
Reduced:	ClSN6O6H15C16 (1)
Stoich.:	ABC6D6E15F16 (1)
Weight, g/mol:	476.147804
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	4.68
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl sulfamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@]5([C@@H](C5OS(=O)(=O)N)O4)O)O)Cl

DOS

IR

Vibrations