Geometry & MOs

Info

ID:	307314
PubChem CID:	125299552
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	473.032745
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	1.47
IP(EA), eV:	-9.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-2-amino-8-[(3,4-dichlorophenyl)methylsulfanyl]-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-purin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=O)[C@@H]2[C@@H](CC(=O)OC2=C1)C3=CC=CO3

DOS

IR

Vibrations