Geometry & MOs

Info

ID:	184208
PubChem CID:	77126902
Reduced:	F3O4N5H22C24 (1)
Stoich.:	A3B4C5D22E24 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-228.93
Dipole, Da:	2.6
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C3C(C(=O)NC4C3C(=O)NC(N4)NC5=CC=CC(=C5)C(F)(F)F)C#N)OC1

DOS

IR

Vibrations