Geometry & MOs

Info

ID:	164022
PubChem CID:	74381494
Reduced:	ClN3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	497.131164
ΔH_f, kcal/mol:	26.44
Dipole, Da:	3.84
IP(EA), eV:	-8.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-oxo-2-(3-phenylprop-2-enoylamino)-2,3,4,5-tetrahydro-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC=C(C)C1CCCC2C1NNC2NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations