Geometry & MOs

Info

ID:	179201
PubChem CID:	76450825
Reduced:	ClN2O4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	344.063419
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	3.52
IP(EA), eV:	-8.48(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-amino-6-oxo-5H-purin-9-yl)-4-hydroxypyrrolidine-1-carbonyl]phosphonic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C2NC3=C(N2C4=CC=C(C=C4)C(=O)O)C=CC(=C3)Cl)C(=O)C=C1O

DOS

IR

Vibrations