Geometry & MOs

Info

ID:	176291
PubChem CID:	76026809
Reduced:	BrNF3O4H7C12 (1)
Stoich.:	ABC3D4E7F12 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-246.26
Dipole, Da:	1.62
IP(EA), eV:	-10.55(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 3-(2-cyano-2-ethylsulfanylethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=O)C2=CC(=CC(C2=N1)OC(F)(F)F)Br

DOS

IR

Vibrations