Geometry & MOs

Info

ID:	334187
PubChem CID:	127252739
Reduced:	ClN5O7H24C25 (1)
Stoich.:	AB5C7D24E25 (1)
Weight, g/mol:	356.11207
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	6.39
IP(EA), eV:	-8.38(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C/C(=C/5\NN(N=N5)C)/C=C(C4=O)OC

DOS

IR

Vibrations