Geometry & MOs

Info

ID:	393942
PubChem CID:	135022024
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	289.075922
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	4.26
IP(EA), eV:	-9.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethenylhydrazinylidene]azanide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H](C[C@@]3(C1CCC3=O)C)C(=C)C(=O)O2

DOS

IR

Vibrations