Geometry & MOs

Info

ID:	334529
PubChem CID:	127253204
Reduced:	ClNF3O9H27C28 (1)
Stoich.:	ABC3D9E27F28 (1)
Weight, g/mol:	330.09642
ΔH_f, kcal/mol:	-467.96
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C(C=C1)NC2=CC(=O)[C@@]3([C@@H](C2)C)C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl)OC)(C(F)(F)F)O

DOS

IR

Vibrations