Geometry & MOs

Info

ID:	218667
PubChem CID:	85089785
Reduced:	NO4C31H43 (1)
Stoich.:	AB4C31D43 (1)
Weight, g/mol:	493.082282
ΔH_f, kcal/mol:	-188.85
Dipole, Da:	8.14
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(4-chlorophenyl)sulfinylmethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)C=CC(CC)(C(C)(C)C)O)C)C2=CC(=C(C=C2)C(=O)NCC(=O)O)C

DOS

IR

Vibrations