Geometry & MOs

Info

ID:	184011
PubChem CID:	77101598
Reduced:	SO3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	2.14
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(2-prop-2-enylphenoxy)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCSC1CCOCC1)C(=O)OC

DOS

IR

Vibrations