Geometry & MOs

Info

ID:	297683
PubChem CID:	117625598
Reduced:	N5O5F6C34H39 (1)
Stoich.:	A5B5C6D34E39 (1)
Weight, g/mol:	347.063085
ΔH_f, kcal/mol:	-458.4
Dipole, Da:	6.51
IP(EA), eV:	-9.41(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-7-(1,2-dihydroxyethyl)-7,9-dihydro-6H-purino[9,8-c][1,3]oxazin-6-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCN(CC1CCC(CC1)CC(=O)O)C2=NC=C(N=C2CN3[C@H](C(OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C5=C(ON=C5C)C

DOS

IR

Vibrations