Geometry & MOs

Info

ID:	336073
PubChem CID:	127255080
Reduced:	SO2N7C13H19 (1)
Stoich.:	AB2C7D13E19 (1)
Weight, g/mol:	552.11207
ΔH_f, kcal/mol:	13.92
Dipole, Da:	4.37
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NC1=NC(=CS1)CC(=O)NC)N2C=NN=N2

DOS

IR

Vibrations