Geometry & MOs

Info

ID:	371071
PubChem CID:	127342293
Reduced:	OF3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	345.172228
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	6.68
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CN2C=CC=N2)C(=O)NC3CC3C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations