Geometry & MOs

Info

ID:	436176
PubChem CID:	135194326
Reduced:	ClO3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	573.199026
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2S,4R,5R)-4-acetyloxy-5-(6-amino-2-chloropurin-9-yl)-3,3-dimethyloxolan-2-yl]methoxy]-2-benzyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CC[C@@H]1C([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)OC(=O)C)(C)C

DOS

IR

Vibrations