Geometry & MOs

Info

ID:	313837
PubChem CID:	126618202
Reduced:	O7C15H34 (1)
Stoich.:	A7B15C34 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-333.22
Dipole, Da:	5.45
IP(EA), eV:	-9.76(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCOCCOCCO.COCCOCCOCCO

DOS

IR

Vibrations