Geometry & MOs

Info

ID:	191678
PubChem CID:	78176350
Reduced:	FSO4N6H13C18 (1)
Stoich.:	ABC4D6E13F18 (1)
Weight, g/mol:	339.05824
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	5.94
IP(EA), eV:	-9.45(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(4-phenylbutylamino)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC(=CC=C2)N3C=NC4C3=NC(=NC4=O)N

DOS

IR

Vibrations