Geometry & MOs

Info

ID:	319699
PubChem CID:	126657038
Reduced:	N4O8C17H40 (1)
Stoich.:	A4B8C17D40 (1)
Weight, g/mol:	402.299008
ΔH_f, kcal/mol:	-370.33
Dipole, Da:	1.83
IP(EA), eV:	-9.52(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dodecylsulfanylmethylsulfanyl)propan-2-yl]-4,4-dimethylpentanal

Drug info:

PubChemData

Smile

C(C(COCC(COCC(CN)O)(COCC(CN)O)COCC(CN)O)O)N

DOS

IR

Vibrations