Geometry & MOs

Info

ID:	216557
PubChem CID:	85086417
Reduced:	SO2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	280.185857
ΔH_f, kcal/mol:	-104.91
Dipole, Da:	2.98
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(trimethylsilylmethyl)deca-2,7,9-trienoate

Drug info:

PubChemData

Smile

CCCCCC(C(C)CC(=O)O)SC1=CC=CC=C1

DOS

IR

Vibrations