Geometry & MOs

Info

ID:	32184
PubChem CID:	6435791
Reduced:	SN3O7C11H11 (1)
Stoich.:	AB3C7D11E11 (1)
Weight, g/mol:	314.057257
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	2.68
IP(EA), eV:	-10.0(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations