Geometry & MOs

Info

ID:	215004
PubChem CID:	85083982
Reduced:	SO5N6C35H48 (1)
Stoich.:	AB5C6D35E48 (1)
Weight, g/mol:	664.01565
ΔH_f, kcal/mol:	-204.79
Dipole, Da:	7.63
IP(EA), eV:	-8.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-4-phenoxycarbothioyloxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)N)N1CC2CCN(C2C1=O)C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations