Geometry & MOs

Info

ID:	165378
PubChem CID:	74542400
Reduced:	N4O4H10C17 (1)
Stoich.:	A4B4C10D17 (1)
Weight, g/mol:	442.178311
ΔH_f, kcal/mol:	130.83
Dipole, Da:	4.33
IP(EA), eV:	-9.7(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-2-(3-chloro-4-fluorophenoxy)-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C1

DOS

IR

Vibrations