Geometry & MOs

Info

ID:	54183
PubChem CID:	14746360
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	654.326011
ΔH_f, kcal/mol:	37.5
Dipole, Da:	2.8
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-2-[2-(4-methylphenyl)sulfonyloxyethoxymethyl]tetradecoxy]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)C=C(C=C2)C#C

DOS

IR

Vibrations