Geometry & MOs

Info

ID:	43003
PubChem CID:	10317692
Reduced:	N5O7C15H19 (1)
Stoich.:	A5B7C15D19 (1)
Weight, g/mol:	381.128448
ΔH_f, kcal/mol:	-234.24
Dipole, Da:	3.2
IP(EA), eV:	-9.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-acetamido-6-oxo-3H-purin-7-yl)methoxy]-3-acetyloxypropyl] acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)CN=[N+]=[N-])OC(=O)C

DOS

IR

Vibrations