Geometry & MOs

Info

ID:	389410
PubChem CID:	134992794
Reduced:	O4C13H26 (1)
Stoich.:	A4B13C26 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-236.34
Dipole, Da:	4.38
IP(EA), eV:	-10.28(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R)-3-hydroxy-4-methoxyhex-5-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC[C@H](C[C@@H]([C@@H](C)COC(=O)C(C)(C)C)O)O

DOS

IR

Vibrations