Geometry & MOs

Info

ID:	173345
PubChem CID:	75625594
Reduced:	OSF3N5H10C14 (1)
Stoich.:	ABC3D5E10F14 (1)
Weight, g/mol:	392.192051
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	3.51
IP(EA), eV:	-9.49(-2.17)
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-cyano-1,2,4-triazol-4-yl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(C(=S)N=C1)C(=O)NCC2=NN=C3N2C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations