Geometry & MOs

Info

ID:	193104
PubChem CID:	78344603
Reduced:	FN2O4C35H37 (1)
Stoich.:	AB2C4D35E37 (1)
Weight, g/mol:	459.0066
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	5.7
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(5-nitro-2,6-dioxo-1,3-diazinan-4-yl)ethenyl]phenyl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3CCCCC3C2=O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations