Geometry & MOs

Info

ID:	449161
PubChem CID:	135296474
Reduced:	ON3C14H29 (1)
Stoich.:	AB3C14D29 (1)
Weight, g/mol:	537.218727
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	0.8
IP(EA), eV:	-8.16(1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[3-(2-tert-butylsulfanylethylsulfanyl)propoxy]-6-(3-methylpentoxy)-1,3,5-triazin-2-yl]oxy]propylsulfanyl]ethanethiol

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC2CCN(CC2)OC

DOS

IR

Vibrations