Geometry & MOs

Info

ID:	319706
PubChem CID:	126657052
Reduced:	OS2C25H50 (1)
Stoich.:	AB2C25D50 (1)
Weight, g/mol:	458.361609
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	3.89
IP(EA), eV:	-8.64(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dodecylsulfanylmethylsulfanyl)propan-2-yl]-4,4,5-trimethyloctanal

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSCSC(C)(C)C(CC(C)(C)C(C)C)C=O

DOS

IR

Vibrations