Geometry & MOs

Info

ID:	190285
PubChem CID:	77981088
Reduced:	ClO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	464.120934
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	8.58
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[(2-oxo-4-pyridin-2-yl-1,3,2lambda5-dioxaphosphinan-2-yl)oxymethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1(CN(C(CO1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl)CCN5C=CN=C5)C

DOS

IR

Vibrations