Geometry & MOs

Info

ID:	208298
PubChem CID:	80516455
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	2.84
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-cyanopyridin-3-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)NC1=C(C=CN=N1)C(=O)O

DOS

IR

Vibrations