Geometry & MOs

Info

ID:	218489
PubChem CID:	85089526
Reduced:	ClN2O9C20H25 (1)
Stoich.:	AB2C9D20E25 (1)
Weight, g/mol:	472.066488
ΔH_f, kcal/mol:	-397.69
Dipole, Da:	2.02
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diamino-7-[(3,4-dichlorophenyl)methyl]-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6,8-dione

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OC2=C(C=C(C=C2)N)Cl)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations