Geometry & MOs

Info

ID:	170226
PubChem CID:	75209268
Reduced:	FSN4O4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	472.22974
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	4.99
IP(EA), eV:	-9.03(-1.38)
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)-N-butyl-4-(2,2,2-trifluoroethoxymethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)OCC3CC(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations