Geometry & MOs

Info

ID:	14496
PubChem CID:	413323
Reduced:	ClSN5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	305.050194
ΔH_f, kcal/mol:	117.85
Dipole, Da:	3.04
IP(EA), eV:	-9.24(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chloroethylsulfanyl)phenyl]-5H-purin-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC=NC3=NC=NC32)SCCCl

DOS

IR

Vibrations