Geometry & MOs

Info

ID:	380731
PubChem CID:	134971259
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-112.89
Dipole, Da:	2.06
IP(EA), eV:	-9.35(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

CCCCCC[C@H](CCC#CCCOCC1=CC=CC=C1)OCOC

DOS

IR

Vibrations