Geometry & MOs

Info

ID:	193064
PubChem CID:	78337600
Reduced:	Cl2N5O5H16C17 (1)
Stoich.:	A2B5C5D16E17 (1)
Weight, g/mol:	546.168539
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.864802
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dibenzyl-2,6-dioxo-4,5-dihydropurin-1-yl)-N-(4-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations