Geometry & MOs

Info

ID:	127151
PubChem CID:	50993008
Reduced:	ClNO7C19H22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	314.118795
ΔH_f, kcal/mol:	-301.89
Dipole, Da:	4.85
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-2-hydroxy-3-methoxy-4-methylhex-5-enyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2CCC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations