Geometry & MOs

Info

ID:	326756
PubChem CID:	126688138
Reduced:	SO2F4N6H30C32 (1)
Stoich.:	AB2C4D6E30F32 (1)
Weight, g/mol:	433.116838
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CCSC(=O)/N=C(/C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=CC=C4)NCC5CC5)F)\N

DOS

IR

Vibrations