Geometry & MOs

Info

ID:	406276
PubChem CID:	135077114
Reduced:	SF3O5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-394.07
Dipole, Da:	3.83
IP(EA), eV:	-9.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-but-3-enoxypent-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2([C@@H](C1)CCC3C2CCC4(C3CC=C4OS(=O)(=O)C(F)(F)F)C)C

DOS

IR

Vibrations