Geometry & MOs

Info

ID:	316194
PubChem CID:	126630345
Reduced:	SO4N5C14H19 (1)
Stoich.:	AB4C5D14E19 (1)
Weight, g/mol:	381.147075
ΔH_f, kcal/mol:	-104.74
Dipole, Da:	2.37
IP(EA), eV:	-8.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C=C1N(C2=NC(=NC(=C2S1)NC3CC3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations