Geometry & MOs

Info

ID:	319703
PubChem CID:	126657049
Reduced:	O2F3S3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	346.236408
ΔH_f, kcal/mol:	-245.99
Dipole, Da:	3.47
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dodecylsulfanylmethylsulfanyl)-2,3-dimethylbutanal

Drug info:

PubChemData

Smile

CC(C(=O)OCCC(F)(F)F)C(C)(C)SC(=S)SC

DOS

IR

Vibrations