Geometry & MOs

Info

ID:	185435
PubChem CID:	77300045
Reduced:	Cl2N5O5H19C21 (1)
Stoich.:	A2B5C5D19E21 (1)
Weight, g/mol:	298.077656
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2NNNN2)NC(=O)COC3=C4C(=CC(=C3)C(=O)O)C=C(C=C4Cl)Cl

DOS

IR

Vibrations