Geometry & MOs

Info

ID:	85854
PubChem CID:	49879742
Reduced:	ON4H30C38 (1)
Stoich.:	AB4C30D38 (1)
Weight, g/mol:	373.062947
ΔH_f, kcal/mol:	149.22
Dipole, Da:	6.87
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N/N=C\C3=CN(C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7

DOS

IR

Vibrations