Geometry & MOs

Info

ID:	311910
PubChem CID:	126599339
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	446.07599
ΔH_f, kcal/mol:	36.43
Dipole, Da:	1.92
IP(EA), eV:	-8.5(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3aR,4R,6R,6aR)-4-(2,6-dichloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]acetate

Drug info:

PubChemData

Smile

CC=N/C(=C(\C(=N)C)/N)/C(=C)C(C)C

DOS

IR

Vibrations