Geometry & MOs

Info

ID:	47030
PubChem CID:	10529027
Reduced:	N2S2O5C24H28 (1)
Stoich.:	A2B2C5D24E28 (1)
Weight, g/mol:	488.259646
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	6.55
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-ethenoxy-4-phenylmethoxybutyl] 2,4,6-tri(propan-2-yl)benzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)SC

DOS

IR

Vibrations