Geometry & MOs

Info

ID:	326907
PubChem CID:	126688620
Reduced:	SF2N4O5C23H24 (1)
Stoich.:	AB2C4D5E23F24 (1)
Weight, g/mol:	433.061153
ΔH_f, kcal/mol:	-236.97
Dipole, Da:	6.21
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[6-[2-(3-chlorophenyl)ethynyl]purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations