Geometry & MOs

Info

ID:	444813
PubChem CID:	135263633
Reduced:	FSN2O5H25C33 (1)
Stoich.:	ABC2D5E25F33 (1)
Weight, g/mol:	419.20295
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	6.81
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopropylamino)-N-[9-(2-hydroxyethoxymethyl)-6-oxo-3H-purin-2-yl]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O)C2=NN(C=C2)CCOC3=CC=C(C=C3)OC4=C(SC5=C4C=CC(=C5)O)C6=CC=C(C=C6)F

DOS

IR

Vibrations