Geometry & MOs

Info

ID:	44874
PubChem CID:	10506287
Reduced:	O2S3N6H16C17 (1)
Stoich.:	A2B3C6D16E17 (1)
Weight, g/mol:	525.439733
ΔH_f, kcal/mol:	94.63
Dipole, Da:	5.89
IP(EA), eV:	-8.96(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-dodec-2-enyl]piperidin-2-yl]methoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N)N)C3=CC=CC=C3

DOS

IR

Vibrations