Geometry & MOs

Info

ID:	168859
PubChem CID:	75028712
Reduced:	SO4N5C16H17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	363.154269
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	3.16
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations