Geometry & MOs

Info

ID:	382923
PubChem CID:	134974362
Reduced:	NS2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	314.24571
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	3.73
IP(EA), eV:	-8.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R,4S)-3-methoxy-6-[(2S,3R,6S)-6-methoxy-3,6-dimethyloxan-2-yl]-2,4-dimethylhept-5-en-1-ol

Drug info:

PubChemData

Smile

C1C[C@]2([C@@H]1C3=CC=CC=C3N2S(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations