Geometry & MOs

Info

ID:	46580
PubChem CID:	10525355
Reduced:	ClNS4H12C18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	406.0138
ΔH_f, kcal/mol:	77.58
Dipole, Da:	4.7
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)SC(S2)C3=CC(=C(N3)C4SC5=CC=CC=C5S4)Cl

DOS

IR

Vibrations