Geometry & MOs

Info

ID:	364358
PubChem CID:	127315501
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	342.136176
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	9.0
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations