Geometry & MOs

Info

ID:	284283
PubChem CID:	104039882
Reduced:	ClNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	318.124943
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	4.17
IP(EA), eV:	-9.05(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NCC(COC)OC

DOS

IR

Vibrations