Geometry & MOs

Info

ID:	327020
PubChem CID:	126688875
Reduced:	ClFON5C19H21 (1)
Stoich.:	ABCD5E19F21 (1)
Weight, g/mol:	480.088575
ΔH_f, kcal/mol:	-17.08
Dipole, Da:	8.93
IP(EA), eV:	-8.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1R,3R,4R,5S)-4,5-dihydroxy-6-(sulfamoylamino)-2-oxabicyclo[3.1.0]hexan-3-yl]-6-[(4-methoxyphenyl)methylsulfanyl]purine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NCCNC

DOS

IR

Vibrations