Geometry & MOs

Info

ID:	401826
PubChem CID:	135052805
Reduced:	NaSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	404.04054
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	3.11
IP(EA), eV:	-7.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-4-[bromo(dimethyl)-lambda4-sulfanyl]-2-[(4-methoxyphenyl)hydrazinylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-]/N=C\C=C\CC2=CC=CC=C2.[Na+]

DOS

IR

Vibrations