Geometry & MOs

Info

ID:	165379
PubChem CID:	74542499
Reduced:	ClFN4O4C20H28 (1)
Stoich.:	ABC4D4E20F28 (1)
Weight, g/mol:	444.157576
ΔH_f, kcal/mol:	-216.78
Dipole, Da:	2.04
IP(EA), eV:	-9.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2-(3-chloro-4-fluorophenoxy)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)COC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations