Geometry & MOs

Info

ID:	32185
PubChem CID:	6435792
Reduced:	SN2O6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	363.019492
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	6.6
IP(EA), eV:	-9.57(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-oxo-4-[2-(4-sulfamoylphenyl)sulfonylhydrazinyl]but-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)OC

DOS

IR

Vibrations