Geometry & MOs

Info

ID:	326776
PubChem CID:	126688186
Reduced:	O2F3N4H21C27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	437.080533
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	3.04
IP(EA), eV:	-9.33(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R,5S)-3-[6-[(4-fluorophenyl)methyl]purin-9-yl]-4,5-dihydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O)C

DOS

IR

Vibrations