Geometry & MOs

Info

ID:	124145
PubChem CID:	50873521
Reduced:	BrFOSN2H6C10 (1)
Stoich.:	ABCDE2F6G10 (1)
Weight, g/mol:	404.057527
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	3.26
IP(EA), eV:	-9.26(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)/C=C/2\C(=O)NC(=S)N2)F

DOS

IR

Vibrations