Geometry & MOs

Info

ID:	53599
PubChem CID:	14716868
Reduced:	SO2C28H40 (1)
Stoich.:	AB2C28D40 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	2.44
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-cyano-2-(3-methyl-4-oxonaphthalen-1-ylidene)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C[C@@H](C)CC

DOS

IR

Vibrations