Geometry & MOs

Info

ID:	124146
PubChem CID:	50873522
Reduced:	ClFN2O5H14C19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	420.027977
ΔH_f, kcal/mol:	-191.37
Dipole, Da:	5.96
IP(EA), eV:	-8.79(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations