Geometry & MOs

Info

ID:	370527
PubChem CID:	127339540
Reduced:	NS2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	338.104876
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	5.93
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2=C(C=CS2)C

DOS

IR

Vibrations