Geometry & MOs

Info

ID:	168117
PubChem CID:	74925651
Reduced:	S2O4N6C17H18 (1)
Stoich.:	A2B4C6D17E18 (1)
Weight, g/mol:	335.114415
ΔH_f, kcal/mol:	-40.19
Dipole, Da:	6.29
IP(EA), eV:	-9.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-5-naphthalen-1-yl-6H-pyrimido[4,5-d]pyrimidin-8-ium-2,4,7-trione

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)CC3C(=NC(=O)N(C3=O)CC=C)C

DOS

IR

Vibrations