Geometry & MOs

Info

ID:	339551
PubChem CID:	127261541
Reduced:	SO4N6C15H24 (1)
Stoich.:	AB4C6D15E24 (1)
Weight, g/mol:	463.132568
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	1.68
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CN(C)CCCSC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

DOS

IR

Vibrations