Geometry & MOs

Info

ID:	46907
PubChem CID:	10528281
Reduced:	OSN6H24C26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	468.179057
ΔH_f, kcal/mol:	113.93
Dipole, Da:	6.84
IP(EA), eV:	-8.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(C(=N1)N3CCOCC3)SC4=NN=C(C(=C24)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations