Geometry & MOs

Info

ID:	147546
PubChem CID:	53787202
Reduced:	O10C63H110 (1)
Stoich.:	A10B63C110 (1)
Weight, g/mol:	698.661068
ΔH_f, kcal/mol:	-514.54
Dipole, Da:	5.25
IP(EA), eV:	-9.19(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11,15-tetramethyl-1-[3-methylsulfanyloxy-2-(3,7,11,15-tetramethylhexadecoxy)propoxy]hexadecane

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations