Geometry & MOs

Info

ID:	227169
PubChem CID:	87560417
Reduced:	ClNO2H10C18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	394.160082
ΔH_f, kcal/mol:	60.21
Dipole, Da:	6.37
IP(EA), eV:	-9.11(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolan-2-yl]methoxy]-N-methylformamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=C4[N+](=O)[O-])Cl

DOS

IR

Vibrations