Geometry & MOs

Info

ID:	307287
PubChem CID:	125299349
Reduced:	NSO5C9H13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-183.17
Dipole, Da:	3.04
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-8H-purin-6-one

Drug info:

PubChemData

Smile

CNC[C@H](C1=CC(=CC=C1)OS(=O)(=O)O)O

DOS

IR

Vibrations