Geometry & MOs

Info

ID:	398227
PubChem CID:	135032362
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	468.236572
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	3.53
IP(EA), eV:	-9.99(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S,6R)-6-ethylsulfanyl-4-hydroxy-2-methyl-5-tri(propan-2-yl)silyloxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(=O)OC)C12C3C4C1C5C4C3C25

DOS

IR

Vibrations