Geometry & MOs

Info

ID:	326705
PubChem CID:	126688051
Reduced:	SN6O6C19H20 (1)
Stoich.:	AB6C6D19E20 (1)
Weight, g/mol:	464.147804
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	7.52
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@]6([C@@H](C6OS(=O)(=O)N)O5)O)O

DOS

IR

Vibrations