Geometry & MOs

Info

ID:	438416
PubChem CID:	135228154
Reduced:	SC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	1.9
IP(EA), eV:	-8.51(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(Z)-3-hydroxy-3-(6-oxo-1H-pyridin-2-yl)prop-2-enylidene]-1H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCSC1(CC1)CC(C)CC

DOS

IR

Vibrations