Geometry & MOs

Info

ID:	7997
PubChem CID:	74644
Reduced:	SN5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	257.073517
ΔH_f, kcal/mol:	97.1
Dipole, Da:	5.2
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzylsulfanyl-7H-purin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)N

DOS

IR

Vibrations