Geometry & MOs

Info

ID:	285005
PubChem CID:	104090124
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	259.087829
ΔH_f, kcal/mol:	11.05
Dipole, Da:	1.24
IP(EA), eV:	-8.63(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-4-pent-4-ynyl-1,4-thiazinan-3-yl)acetic acid

Drug info:

PubChemData

Smile

C#CCCCOC1=CC=C(C=C1)CCN

DOS

IR

Vibrations