Geometry & MOs

Info

ID:	217425
PubChem CID:	85087798
Reduced:	SO5C19H22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	362.230453
ΔH_f, kcal/mol:	-166.64
Dipole, Da:	8.33
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2,4-dihydroxy-3-methoxy-6-(1-methoxypropan-2-yl)-5-methyloxan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1(COC2(C=CC3(C2CC(=O)O3)CS(=O)C4=CC=CC=C4)OC1)C

DOS

IR

Vibrations