Geometry & MOs

Info

ID:	16570
PubChem CID:	472941
Reduced:	ClSN4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	290.039295
ΔH_f, kcal/mol:	84.79
Dipole, Da:	10.23
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=NC(=NC3=C2NC=N3)Cl)C

DOS

IR

Vibrations