Geometry & MOs

Info

ID:	427276
PubChem CID:	135156593
Reduced:	SN5C7H7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	231.015741
ΔH_f, kcal/mol:	88.75
Dipole, Da:	2.5
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopurin-9-yl) dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)N(C=N2)CC(=S)N

DOS

IR

Vibrations