Geometry & MOs

Info

ID:	193063
PubChem CID:	78337599
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	440.052849
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	3.65
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetate

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations