Geometry & MOs

Info

ID:	59074
PubChem CID:	24770768
Reduced:	SiO7C24H40 (1)
Stoich.:	AB7C24D40 (1)
Weight, g/mol:	380.12936
ΔH_f, kcal/mol:	-361.86
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-hydroxy-4-[(4-methoxyphenyl)methoxy]butyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@H](C/C=C/C(=O)O[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@@H](C)OC(=O)C=C

DOS

IR

Vibrations