Geometry & MOs

Info

ID:	228504
PubChem CID:	87565012
Reduced:	SN3O5C7H13 (1)
Stoich.:	AB3C5D7E13 (1)
Weight, g/mol:	902.281583
ΔH_f, kcal/mol:	-157.62
Dipole, Da:	6.94
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxo-8H-purin-9-yl] sulfate

Drug info:

PubChemData

Smile

C1CC(N2CC1NC2)C(=O)NOS(=O)(=O)O

DOS

IR

Vibrations