Geometry & MOs

Info

ID:	1036
PubChem CID:	3697
Reduced:	PN5O7C11H16 (1)
Stoich.:	AB5C7D11E16 (1)
Weight, g/mol:	361.078735
ΔH_f, kcal/mol:	-340.52
Dipole, Da:	6.45
IP(EA), eV:	-9.18(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-amino-4-oxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=C(C2=C(N1)C(=O)N=C(N2)N)C3C(C(C(N3)COP(=O)(O)O)O)O

DOS

IR

Vibrations