Geometry & MOs

Info

ID:	124090
PubChem CID:	50872352
Reduced:	ClFN4O5H14C19 (1)
Stoich.:	ABC4D5E14F19 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	3.11
IP(EA), eV:	-9.44(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C)OC3=NC(=NC=C3F)Cl

DOS

IR

Vibrations