Geometry & MOs

Info

ID:	178232
PubChem CID:	76298643
Reduced:	BrF2N3O5H12C16 (1)
Stoich.:	AB2C3D5E12F16 (1)
Weight, g/mol:	440.04955
ΔH_f, kcal/mol:	-188.69
Dipole, Da:	0.68
IP(EA), eV:	-9.33(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxopiperidin-3-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(=O)N=C2C=C(C=NC2=O)Br)OC(F)F

DOS

IR

Vibrations