Geometry & MOs

Info

ID:	319705
PubChem CID:	126657051
Reduced:	NO2S3F9C33H52 (1)
Stoich.:	AB2C3D9E33F52 (1)
Weight, g/mol:	430.330309
ΔH_f, kcal/mol:	-587.82
Dipole, Da:	1.47
IP(EA), eV:	-8.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(=S)SC(C)(C)C(C)(CC(C)(C)C(C)(C)C#N)C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations