Geometry & MOs

Info

ID:	59225
PubChem CID:	24775785
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	554.108176
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	2.19
IP(EA), eV:	-8.92(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(1R,3R,4R,7S)-3-(6-aminopurin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/COC(/C=C(/C)\C#C)C(C)(C)C)/C)C

DOS

IR

Vibrations