Geometry & MOs

Info

ID:	170749
PubChem CID:	75276230
Reduced:	SN3O7C33H47 (1)
Stoich.:	AB3C7D33E47 (1)
Weight, g/mol:	484.081261
ΔH_f, kcal/mol:	-285.53
Dipole, Da:	7.29
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-fluoro-6-hydroxybenzoyl)sulfamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(CN(CCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)OC)O

DOS

IR

Vibrations