Geometry & MOs

Info

ID:	390613
PubChem CID:	134999987
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[9-(5-oxo-1-phenylmethoxyhexan-3-yl)purin-6-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)N1CCOC1=O)SCCC2=CC=CC=C2

DOS

IR

Vibrations