Geometry & MOs

Info

ID:	380736
PubChem CID:	134971264
Reduced:	F3O7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	304.188589
ΔH_f, kcal/mol:	-432.74
Dipole, Da:	3.81
IP(EA), eV:	-10.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate

Drug info:

PubChemData

Smile

C[C@H](/C=C/C(=O)OC)[C@@H]([C@H]1COC(O1)(C)C)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC

DOS

IR

Vibrations