Geometry & MOs

Info

ID:	339546
PubChem CID:	127261536
Reduced:	O3N5C7H11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	400.149518
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	4.63
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)/N=C(\N)/NO)OC

DOS

IR

Vibrations