Geometry & MOs

Info

ID:	174189
PubChem CID:	75737754
Reduced:	SO4N5H16C21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	292.039202
ΔH_f, kcal/mol:	12.16
Dipole, Da:	11.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870907
Charge, e:	-1

Chem-info

IUPAC name:

5-[3-(1-ethylpyrazol-3-yl)prop-2-enoyl]-2,4-dioxo-1,3-thiazin-6-olate

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=NN(C=C2C=CC(=O)C3=C(SC(=O)NC3=O)[O-])C4=CC=CC=C4)C

DOS

IR

Vibrations