Geometry & MOs

Info

ID:	298000
PubChem CID:	117645691
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-150.92
Dipole, Da:	3.34
IP(EA), eV:	-9.25(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (Z)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCCCC(CS(=O)(=O)O)C1=CC=C(C=C1)C

DOS

IR

Vibrations