Geometry & MOs

Info

ID:	394061
PubChem CID:	135022267
Reduced:	OSN2H32C33 (1)
Stoich.:	ABC2D32E33 (1)
Weight, g/mol:	288.042945
ΔH_f, kcal/mol:	66.61
Dipole, Da:	5.48
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-nitrophenyl)sulfanyl-7H-purin-6-amine

Drug info:

PubChemData

Smile

CC(C)C1C2(C3=CC=CC=C3C4=CC=CC=C42)N(C(=S)N1CC5=CC=C(C=C5)OC)CC6=CC=CC=C6

DOS

IR

Vibrations