Geometry & MOs

Info

ID:	47317
PubChem CID:	10531499
Reduced:	ISN4O5C23H23 (1)
Stoich.:	ABC4D5E23F23 (1)
Weight, g/mol:	592.279804
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	6.0
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)N)CCC2=CC=C(C=C2)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)[125I]

DOS

IR

Vibrations