Geometry & MOs

Info

ID:	32186
PubChem CID:	6435794
Reduced:	S2N3O7C11H13 (1)
Stoich.:	A2B3C7D11E13 (1)
Weight, g/mol:	284.046693
ΔH_f, kcal/mol:	-207.45
Dipole, Da:	2.97
IP(EA), eV:	-10.26(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations