Geometry & MOs

Info

ID:	16521
PubChem CID:	472029
Reduced:	S2N3O3C13H13 (1)
Stoich.:	A2B3C3D13E13 (1)
Weight, g/mol:	323.039834
ΔH_f, kcal/mol:	-58.99
Dipole, Da:	5.5
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1,1-dioxo-2-(pyridin-2-ylmethyl)thieno[3,4-e][1,2,4]thiadiazin-3-one

Drug info:

PubChemData

Smile

CCN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=CC=CC=N3

DOS

IR

Vibrations