Geometry & MOs

Info

ID:	159474
PubChem CID:	57288108
Reduced:	N2S3O12H14C18 (1)
Stoich.:	A2B3C12D14E18 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-346.68
Dipole, Da:	9.04
IP(EA), eV:	-9.79(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1,5-di(pyrimidin-5-yl)decane-3,8-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations