Geometry & MOs

Info

ID:	151416
PubChem CID:	53801231
Reduced:	NC13H17 (2)
Stoich.:	AB13C17 (2)
Weight, g/mol:	668.483832
ΔH_f, kcal/mol:	46.62
Dipole, Da:	0.38
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[4-[2-(4-hexadecoxyphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)C3CCC(CC3)CC

DOS

IR

Vibrations