Geometry & MOs

Info

ID:	335178
PubChem CID:	127254039
Reduced:	NO8C25H25 (1)
Stoich.:	AB8C25D25 (1)
Weight, g/mol:	358.091334
ΔH_f, kcal/mol:	-263.39
Dipole, Da:	4.57
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,3-dimethyl-2-oxo-5-(2,4,6-trioxo-1,3-diazinan-5-yl)imidazol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=C(C=C1)C(=O)OC)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O

DOS

IR

Vibrations